annotate pepquery2.xml @ 3:d8962e547c9c draft

planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
author galaxyp
date Tue, 25 Oct 2022 23:35:01 +0000
parents 3b2874c58bcd
children 29e6417b913c
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3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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1 <tool id="pepquery2" name="PepQuery2" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@">
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2 <description>Peptide-centric search engine for novel peptide identification and validation.</description>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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3 <macros>
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4 <import>macros.xml</import>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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5 </macros>
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6 <requirements>
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7 <requirement type="package" version="@TOOL_VERSION@">pepquery</requirement>
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8 </requirements>
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9 <stdio>
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10 <exit_code range="1:" level="fatal" description="Failed" />
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11 <regex match="Exception"
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12 source="stderr"
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13 level="fatal"
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14 description="java Exception" />
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15 </stdio>
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16 <command><![CDATA[
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17 @CMD_IMPORTS@
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18 #if $req_inputs.db_type.db_type_selector == 'history'
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19 #set $db_file = $re.sub('\s','_',$re.sub('[.][^.]*$','',$req_inputs.db_type.db_file.display_name.split('/')[-1])) + ".fa"
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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20 ln -s '$req_inputs.db_type.db_file' '$db_file' &&
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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21 #end if
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22 #if $req_inputs.ms_dataset.ms_dataset_type == 'history'
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23 @INDEX_SPECTRUM_FILES@
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24 $index_spectrum_files($ms_index.files_path, $req_inputs.ms_dataset.spectrum_files) &&
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25 #elif $req_inputs.ms_dataset.ms_dataset_type == 'indexed'
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26 #if $os.path.exists($os.path.join($req_inputs.ms_dataset.index.extra_files_path, 'summary.txt'))
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27 #set $index_dir = 'index_dir'
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28 ln -s '$req_inputs.ms_dataset.index.extra_files_path' index_dir &&
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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29 #else
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30 #raise ValueError
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31 #end if
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32 #end if
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33 ## PepQuery command
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34 pepquery
2
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35 -Xmx\$[ \${GALAXY_MEMORY_MB:-8192} / 1024 ]g
0
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36 #if $validation.task_type == "known"
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37 -s 2 $validation.decoy
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38 #else
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39 -s 1
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40 #end if
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41 #if $req_inputs.ms_dataset.ms_dataset_type in ['history', 'indexed']
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42 -ms '$index_dir'
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43 #elif $req_inputs.ms_dataset.ms_dataset_type in ['PepQueryDB', 'public']
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44 -b '$req_inputs.ms_dataset.dataset'
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45 #end if
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46
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47 #if $req_inputs.db_type.db_type_selector == 'history'
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48 -db '$db_file'
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49 #else
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50 -db '$req_inputs.db_type.db_id'
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51 #end if
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52 #if $req_inputs.input_type.input_type_selector == 'peptide'
2
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53 -t $req_inputs.input_type.input_type_selector
0
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54 -i '$req_inputs.input_type.multiple.input'
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55 #else
2
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56 -t $req_inputs.input_type.input_type_selector
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57 #if $req_inputs.input_type.input_type_selector == 'protein'
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58 #if $req_inputs.input_type.multiple.protein_input_selector == 'identifier'
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59 #set $prot_id = str($req_inputs.input_type.multiple.input).replace('|','\|')
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60 -i '"$prot_id"'
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61 #else
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62 -i '$req_inputs.input_type.multiple.input'
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63 #end if
0
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64 #else
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65 -i '$req_inputs.input_type.input'
2
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66 #if $req_inputs.input_type.input_type_selector == 'DNA'
0
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67 #if $req_inputs.input_type.frame == 'None'
2
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68 -frame '0'
0
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69 #else
2
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70 -frame '$req_inputs.input_type.frame'
0
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71 #end if
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72 #else
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73 -anno '$req_inputs.input_type.anno'
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74 #end if
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75 #end if
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76 #end if
2
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77 #if $req_inputs.indexType
0
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78 -indexType $req_inputs.indexType
2
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79 #end if
0
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80
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81 #if $modifications.fixed_mod
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82 -fixMod '$modifications.fixed_mod'
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83 #end if
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84 #if $modifications.var_mod
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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parents:
diff changeset
85 -varMod '$modifications.var_mod'
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
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86 #end if
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
87 #if $digestion.enzyme
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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diff changeset
88 -e '$digestion.enzyme'
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
89 #end if
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
90 #if $digestion.max_missed_cleavages
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
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91 -c '$digestion.max_missed_cleavages'
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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92 #end if
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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93
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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94 #if $modifications.max_mods
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galaxyp
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95 -maxVar '$modifications.max_mods'
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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96 #end if
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97 $modifications.unmodified
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98 $modifications.aa
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99 #if $ms_params.tolerance_params.precursor_tolerance
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100 -tol '$ms_params.tolerance_params.precursor_tolerance'
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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101 #end if
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102
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103 #if $ms_params.tolerance_params.precursor_unit
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104 -tolu '$ms_params.tolerance_params.precursor_unit'
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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105 #end if
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106 #if $ms_params.tolerance_params.tolerance
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107 -itol '$ms_params.tolerance_params.tolerance'
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108 #end if
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109 #if $ms_params.search.frag_method
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110 -fragmentMethod '$ms_params.search.frag_method'
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111 #end if
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112 #if $ms_params.search.scoring_method
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113 -m '$ms_params.search.scoring_method'
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114 #end if
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115 $ms_params.search.extra_score_validation
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116 #if $ms_params.search.max_charge
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117 -maxCharge '$ms_params.search.max_charge'
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118 #end if
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119 #if $ms_params.search.min_charge
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120 -minCharge '$ms_params.search.min_charge'
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121 #end if
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122 #if $ms_params.search.min_peaks
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123 -minPeaks '$ms_params.search.min_peaks'
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124 #end if
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125 #if $ms_params.search.isotope_error
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126 -ti '$ms_params.search.isotope_error'
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127 #end if
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128 #if $ms_params.search.min_score
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129 -minScore '$ms_params.search.min_score'
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130 #end if
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131 #if $ms_params.search.min_length
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132 -minLength '$ms_params.search.min_length'
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133 #end if
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134 #if $ms_params.search.max_length
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135 -maxLength '$ms_params.search.max_length'
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136 #end if
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137 #if $ms_params.search.num_random_peptides
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138 -n '$ms_params.search.num_random_peptides'
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139 #end if
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140 #if 'psm_annotation.txt' in $outputs_selected
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141 -plot
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142 #end if
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143 $fast
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144 -o pepquery_output
2
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145 | tee >(sed "s/\x1b[^m]*m//g" > log.txt)
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146 #set $flist = str($outputs_selected).replace(',',' ').replace('ms_index','')
1
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147 && for i in $flist; do for f in `find pepquery_output/*/* -name \$i`; do cat \$f >> pepquery_output/\${i}; done; done
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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148 && for f in `find pepquery_output/*/ -name parameter.txt`; do cp \$f pepquery_output/parameter.txt; done
0
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149 ]]>
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150 </command>
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151 <inputs>
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152 <conditional name="validation">
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153 <param name="task_type" argument="-s" type="select" label="Validation Task Type">
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154 <option value="novel" selected="true">novel peptide/protein validation</option>
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155 <option value="known">known peptide/protein validation</option>
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156 </param>
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157 <when value="novel"/>
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158 <when value="known">
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159 <param name="decoy" argument="-decoy" type="boolean" truevalue="-decoy" falsevalue="" checked="false" label="Identity the decoy version of the selected target protein"/>
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160 </when>
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161 </conditional>
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162 <section name="req_inputs" title="Input Data" expanded="true">
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163 <conditional name="input_type">
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164 <param name="input_type_selector" argument="-t" type="select" label="Input Type" help="" >
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165 <option value="peptide">peptide</option>
2
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166 <option value="protein">protein</option>
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167 <option value="DNA">DNA (translate to protein sequences)</option>
0
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168 <!-- these are not working with pepquery version 1.6
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169 <option value="3">VCF (translate to protein sequences)</option>
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170 <option value="4">BED (translate to protein sequences)</option>
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171 <option value="5">GTF (translate to protein sequences)</option>
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172 -->
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173 </param>
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174 <when value="peptide">
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175 <conditional name="multiple">
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176 <param name="peptide_input_selector" type="select" label="Peptides?">
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177 <option value="multiple">Peptide list from your history</option>
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178 <option value="single">Single peptide entered as text</option>
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179 </param>
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180 <when value="multiple">
3
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181 <param name="input" argument="-i" type="data" format="tabular" label="Peptide Sequences (.txt)">
2
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182 <help>Peptide sequence file containing peptides which you want to search (no column headers).
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183 First column is am peptide sequence. Optional second column is spectrum title.
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184 </help>
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185 </param>
0
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186 </when>
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187 <when value="single">
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188 <param name="input" argument="-i" type="text" label="Peptide Sequence" help="Peptide sequence(s) which you want to search">
3
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189 <validator type="regex" message="Must be AA letters, multiple peptides separated by commas">^[AC-IK-NP-TV-Yac-ik-np-tv-y]+(,[AC-IK-NP-TV-Yac-ik-np-tv-y]+)*$</validator>
0
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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190 </param>
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191 </when>
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192 </conditional>
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193 </when>
2
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194 <when value="protein">
0
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195 <conditional name="multiple">
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196 <param name="protein_input_selector" type="select" label="Proteins?">
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197 <option value="multiple">Protein fasta from your history</option>
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198 <option value="single">Single protein entered as text</option>
2
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199 <option value="identifier">Protein Identifier from selected Protein Reference Database</option>
0
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200 </param>
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201 <when value="multiple">
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202 <param name="input" argument="-i" type="data" format="fasta" label="Protein Sequences (.txt)" help="Protein fasta file containing proteins which you want to search." />
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203 </when>
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204 <when value="single">
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205 <param name="input" argument="-i" type="text" label="Protein Sequence" help="Protein sequence which you want to search">
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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206 <validator type="regex" message="Must be AA letters">^[AC-IK-NP-TV-Yac-ik-np-tv-y]+$</validator>
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207 </param>
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208 </when>
2
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209 <when value="identifier">
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210 <param name="input" argument="-i" type="text" label="Protein Identifier" help="Protein ID from the selected Protein Reference Database. E.g. sp|P07205|PGK2_HUMAN from swissprot:human">
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211 <sanitizer invalid_char="">
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212 <valid initial="string.ascii_letters,string.digits">
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213 <add value="|" />
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214 </valid>
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215 </sanitizer>
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216 <validator type="regex" message="Spaces not allowed in ID">^[^ ]+$</validator>
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217 </param>
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218 </when>
0
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219 </conditional>
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220 </when>
2
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221 <when value="DNA">
0
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222 <param name="input" argument="-i" type="text" label="DNA Sequence (at least 60 bp)" help="DNA sequence which you want to search">
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223 <validator type="regex" message="Must be at least 60bp">^[acgtuAGCTU]{60}[acgtuAGCTU]*$</validator>
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224 </param>
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225 <param name="frame" argument="-f" type="select" label="Frame(s) for DNA translation" multiple="true" help="The frame(s) to translate DNA sequence to protein. Selecting nothing (default) keeps the longest frame">
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226 <option value="1">1</option>
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227 <option value="2">2</option>
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228 <option value="3">3</option>
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229 <option value="4">4</option>
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230 <option value="5">5</option>
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231 <option value="6">6</option>
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232 </param>
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233 </when>
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234 <!-- these are not working with pepquery version 1.6
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235 <when value="3">
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236 <param name="input" type="data" format="vcf" label="VCF File" argument="-i" help="" />
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237 <param name="anno" type="data_collection" label="Annotation Files" argument="-anno" help="Annotation files for the VCF file. Please follow preparation instructions here: http://bioconductor.org/packages/devel/bioc/html/PGA.html" />
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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238 </when>
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239 <when value="4">
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240 <param name="input" type="data" format="bed" label="BED File" argument="-i" help="" />
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241 <param name="anno" type="data_collection" label="Annotation Files" argument="-anno" help="Annotation files for the BED file. Please follow preparation instructions here: http://bioconductor.org/packages/devel/bioc/html/PGA.html" />
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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242 </when>
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243 <when value="5">
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244 <param name="input" type="data" format="gtf" label="GTF File" argument="-i" help="" />
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245 <param name="anno" type="data_collection" label="Annotation Files" argument="-anno" help="Annotation files for the GTF file. Please follow preparation instructions here: http://bioconductor.org/packages/devel/bioc/html/PGA.html" />
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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246 </when>
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247 -->
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248 </conditional>
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249 <conditional name="db_type">
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250 <param name="db_type_selector" type="select" label="Protein Reference Database from" help="" >
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251 <option value="history">history</option>
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252 <option value="download">download</option>
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253 </param>
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254 <when value="history">
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255 <param name="db_file" argument="-db" type="data" format="fasta" label="Protein Reference Database File" help="an input sequence that matches a reference will be ignored." />
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256 </when>
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257 <when value="download">
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258 <param name="db_id" type="text" value="" label="Public protein sequence database">
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259 <help>Currently supported dowloads: gencode:human, swissprot:human, refseq:human</help>
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260 <option value="gencode:human">gencode:human</option>
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261 <option value="swissprot:human">swissprot:human</option>
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262 <option value="refseq:human">refseq:human</option>
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263 <validator type="regex" message="">^(swissprot|refseq|gencode):(human)$</validator>
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264 </param>
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265 </when>
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266 </conditional>
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267 <conditional name="ms_dataset">
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268 <param name="ms_dataset_type" type="select" label="MS/MS dataset to search" help="" >
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269 <option value="history"> Spectrum Datasets from history</option>
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270 <option value="indexed">Indexed MS/MS spectrums</option>
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271 <option value="PepQueryDB">PepQueryDB</option>
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272 <option value="public">public proteomics data repositories</option>
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273 </param>
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274 <when value="history">
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275 <param name="spectrum_files" argument="-ms" type="data" format="mgf,mzml,mzxml,thermo.raw" label="Spectrum File" help="Spectrum file used for identification, formats: MGF,mzML,mzXML,Thermo RAW" />
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276 </when>
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277 <when value="indexed">
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278 <param name="index" argument="-ms" type="data" format="txt" label="PepQuery Index" help="" />
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279 </when>
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280 <when value="PepQueryDB">
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281 <param name="dataset" argument="-b" type="text" value="" label="PepQueryDB dataset">
1
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282 <help>PepQueryDB dataset IDs (separated by commas).</help>
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283 <expand macro="pepquerydb_options" />
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284 <validator type="regex" message="PepQueryDB dataset_name(,dataset_name)">^[a-zA-Z][^,]*(,[a-zA-Z][^,]*)*$</validator>
0
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285 </param>
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286 </when>
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287 <when value="public">
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288 <param name="dataset" type="text" value="" label="Public dataset">
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289 <validator type="regex" message="An identifier strating with PXD or MSV or JPST">^(PXD|MSV|JPST).*$</validator>
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290 </param>
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291 </when>
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292 </conditional>
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293
2
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294 <param name="indexType" argument="-indexType" type="select" optional="true" label="Report Spectrum Scan as" help="Default: index" >
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295 <option value="1">index (1-based) in MGF</option>
0
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296 <option value="2">spectrum title in MGF</option>
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297 </param>
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298 </section>
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299
1
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300 <param name="parameter_set" argument="-p" type="text" value="" optional="true" label="MS/MS searching parameter set name">
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301 <help>Currently supported set names start with: MS1 or TMT</help>
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302 <option value="MS1_H_MS2_H_LF">MS1_H_MS2_H_LF</option>
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303 <option value="MS1_H_MS2_L_LF">MS1_H_MS2_L_LF</option>
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304 <option value="TMT10_11">TMT10_11</option>
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305 <option value="TMT10_11_MS2_L">TMT10_11_MS2_L</option>
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306 <option value="TMT10_11_MS2_L_phosphorylation">TMT10_11_MS2_L_phosphorylation</option>
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307 <option value="TMT10_11_acetylation">TMT10_11_acetylation</option>
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308 <option value="TMT10_11_glycosylation">TMT10_11_glycosylation</option>
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309 <option value="TMT10_11_phosphorylation">TMT10_11_phosphorylation</option>
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310 <option value="TMT10_11_ubiquitination">TMT10_11_ubiquitination</option>
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311 </param>
0
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312
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313 <section name="modifications" title="Modifications" expanded="false">
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314 <param name="fixed_mod" argument="-fixMod" type="select" label="Fixed modification(s)" multiple="true" optional="true">
2
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315 <help>Default: 1: Carbamidomethylation of C [57.02146372057]</help>
0
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316 <expand macro="modifications" />
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317 </param>
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318 <param name="var_mod" argument="-varMod" type="select" label="Variable modification(s)" multiple="true" optional="true">
2
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319 <help>Default: 2: Oxidation of M [15.99491461956]</help>
0
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320 <expand macro="modifications" />
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321 </param>
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322
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323 <param name="max_mods" argument="-maxVar" type="integer" label="Max Modifications" value="" min="0" max="10" optional="true" help="Max number of variable modifications Default: 3" />
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324 <param name="unmodified" argument="-hc" type="boolean" truevalue="-hc" falsevalue="" checked="false" label="Use more stringent criterion for unrestricted modification searching" help="TRUE: score(UMS)>=score(targetPSM); FALSE: score(UMS)>score(targetPSM)" />
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325 <param name="aa" argument="-aa" type="boolean" truevalue="-aa" falsevalue="" checked="false" label="Consider amino acid substitution modifications?" help="Whether or not to consider aa substitution modifications when perform modification filtering." />
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326 </section>
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327
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328 <section name="digestion" title="Digestion" expanded="false">
2
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329 <param name="enzyme" argument="-e" type="select" optional="true" label="Enzyme" help="Enzyme used for protein digestion. Default: Trypsin" >
0
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330 <option value="0">Non enzyme</option>
2
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331 <option value="1">Trypsin</option>
0
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332 <option value="2">Trypsin (no P rule)</option>
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333 <option value="3">Arg-C</option>
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334 <option value="4">Arg-C (no P rule)</option>
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335 <option value="5">Arg-N</option>
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336 <option value="6">Glu-C</option>
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337 <option value="7">Lys-C</option>
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338 </param>
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339 <param name="max_missed_cleavages" argument="-c" type="integer" value="" optional="true" label="Max Missed Cleavages" help="The max missed cleavages" />
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340 </section>
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341
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342 <section name="ms_params" title="Mass spectrometer" expanded="false">
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343 <section name="tolerance_params" title="Tolerance" expanded="true">
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344 <param name="precursor_tolerance" argument="-tol" type="integer" value="" optional="true" label="Precursor Tolerance" help="The error window on experimental peptide mass values. This parameter is usually set according to the mass spectrometer which was used to generate the MS/MS data. Default: 10" />
2
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345 <param name="precursor_unit" argument="-tolu" type="select" optional="true" label="Precursor Unit" help="The unit of precursor ion m/z tolerance. Default: ppm">
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346 <option value="ppm">ppm</option>
0
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347 <option value="Da">Da</option>
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348 </param>
1
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349 <param name="tolerance" argument="-itol" type="float" value="" optional="true" label="Tolerance" help="Error window for MS/MS fragment ion mass values in Da unit. Default: 0.6 Da" />
0
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350 </section>
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351
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352 <section name="search" title="PSM" expanded="false">
2
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353 <param name="frag_method" argument="-fragmentMethod" type="select" optional="true" label="Fragmentation Method" help="Default: CID/HCD">
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354 <option value="1">CID/HCD</option>
0
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355 <option value="2">ETD</option>
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356 </param>
2
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357 <param name="scoring_method" argument="-m" type="select" optional="true" label="Scoring Method" help="Default: HyperScore">
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358 <option value="1">HyperScore</option>
0
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359 <option value="2">MVH</option>
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360 </param>
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361 <param name="extra_score_validation" argument="-x" type="boolean" truevalue="-x" falsevalue="" checked="false" label="Add extra score validation" help="use two scoring algorithms for peptide identification" />
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362 <param name="min_charge" argument="-minCharge" type="integer" value="" optional="true" label="Minimum Charge" help="The minimum charge to consider if the charge state is not available. Default: 2"/>
1
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363 <param name="max_charge" argument="-maxCharge" type="integer" value="" optional="true" label="Maximum Charge" help="The maximum charge to consider if the charge state is not available. Default: 3" />
0
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364 <param name="min_peaks" argument="-minPeaks" type="integer" value="" optional="true" label="Minimum Peaks" help="Min peaks in spectrum. Default: 10" />
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365 <param name="isotope_error" argument="-ti" type="text" value="" optional="true" label="Isotope peak error range">
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366 <help>A comma-sepated range of integers from -2 to 2, e.g. '-1,0,1,2' Default: 0</help>
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367 <validator type="regex" message="">^((-2,)?-1,)?0(,1(,2)?)?$</validator>
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368 </param>
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369 <param name="min_score" argument="-minScore" type="integer" value="" min="0" optional="true" label="Minimum Score" help="Minimum score to consider for peptide searching. Default: 12" />
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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370 <param name="min_length" argument="-minLength" type="integer" value="" min="0" optional="true" label="Minimum length of peptide" help="The maximum length of peptide to consider. Default: 7" />
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371 <param name="max_length" argument="-maxLength" type="integer" value="" min="0" optional="true" label="Maximum length of peptide" help="The maximum length of peptide to consider. Default: 45" />
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372 <param name="num_random_peptides" argument="-n" type="integer" value="" min="0" optional="true" label="Number of Random Peptides" help="The number of random peptides. Default: 1000" />
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373 </section>
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374 </section>
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375
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376 <param name="outputs_selected" type="select" multiple="true" optional="false" label="Select outputs">
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377 <option value="psm.txt" selected="true">psm.txt</option>
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378 <option value="psm_rank.txt" selected="true">psm_rank.txt</option>
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379 <option value="psm_rank.mgf" selected="true">psm_rank.mgf</option>
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380 <option value="psm_annotation.txt" selected="true">psm_annotation.txt</option>
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381 <option value="psm_type.txt" selected="false">psm_type.txt</option>
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382 <option value="detail.txt" selected="true">detail.txt</option>
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383 <option value="ptm.txt" selected="true">ptm.txt</option>
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384 <option value="ptm_detail.txt" selected="true">ptm_detail.txt</option>
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385 <option value="ms_index" selected="true">MS/MS Index</option>
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386 </param>
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387 <param name="fast" argument="-fast" type="boolean" truevalue="-fast" falsevalue="" checked="false" label="Use fast mode for searching" help="In fast mode, only one better match from reference peptide-based competitive filtering steps will be returned. A peptide identified or not is not affected by this setting. For most applications, fast mode will speed up the analysis." />
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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388 </inputs>
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389 <outputs>
3
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390 <data name="log_txt" format="txt" from_work_dir="log.txt" label="${tool.name} on ${on_string}: log.txt">
2
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391 </data>
1
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392 <data name="parameter_txt" format="txt" from_work_dir="pepquery_output/parameter.txt" label="${tool.name} on ${on_string}: parameter.txt">
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393 </data>
0
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394 <data name="ms_index" format="txt" label="${tool.name} on ${on_string}: index summary.txt" from_work_dir="index_dir/summary.txt">
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395 <filter>'ms_index' in outputs_selected and req_inputs['ms_dataset']['ms_dataset_type'] == 'history'</filter>
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396 </data>
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397 <data name="psm_txt" format="tabular" from_work_dir="pepquery_output/psm.txt" label="${tool.name} on ${on_string}: psm.txt">
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398 <filter>'psm.txt' in outputs_selected</filter>
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399 <actions>
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400 <action name="comment_lines" type="metadata" default="1" />
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401 <action name="column_names" type="metadata" default="peptide,modification,n,spectrum_title,charge,exp_mass,tol_ppm,tol_da,isotope_error,pep_mass,mz,score,n_db,total_db,n_random,total_random,pvalue" />
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402 </actions>
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403 </data>
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404
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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405 <data name="psm_rank_txt" format="tabular" from_work_dir="pepquery_output/psm_rank.txt" label="${tool.name} on ${on_string}: psm_rank.txt">
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406 <filter>'psm_rank.txt' in outputs_selected</filter>
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407 <actions>
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408 <action name="comment_lines" type="metadata" default="1" />
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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409 <action name="column_names" type="metadata" default="peptide,modification,n,spectrum_title,charge,exp_mass,tol_ppm,tol_da,isotope_error,pep_mass,mz,score,n_db,total_db,n_random,total_random,pvalue,rank,n_ptm,confident,ref_delta_score,mod_delta_score" />
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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410 </actions>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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411 </data>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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412
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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413 <data name="psm_rank_mgf" format="mgf" from_work_dir="pepquery_output/psm_rank.mgf" label="${tool.name} on ${on_string}: psm_rank.mgf">
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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414 <filter>'psm_rank.mgf' in outputs_selected</filter>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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415 </data>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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416 <data name="psm_type_txt" format="tabular" from_work_dir="pepquery_output/psmi_type.txt" label="${tool.name} on ${on_string}: psm_type.txt">
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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417 <filter>'psm_type.txt' in outputs_selected</filter>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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418 <actions>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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419 <action name="comment_lines" type="metadata" default="1" />
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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420 <action name="column_names" type="metadata" default="peptide,spectrum_title,type" />
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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421 </actions>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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422 </data>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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423 <data name="psm_annotation_txt" format="tabular" from_work_dir="pepquery_output/psm_annotation.txt" label="${tool.name} on ${on_string}: psm_annotation.txt">
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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424 <filter>'psm_annotation.txt' in outputs_selected</filter>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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425 <actions>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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426 <action name="comment_lines" type="metadata" default="1" />
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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427 <action name="column_names" type="metadata" default="peptide,modification,Query,calc_mr,observed_mz,charge,pepSeq,m_label,m_mz,m_intensity,mz,intensity" />
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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428 </actions>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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429 </data>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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430 <data name="detail_txt" format="tabular" from_work_dir="pepquery_output/detail.txt" label="${tool.name} on ${on_string}: detail.txt">
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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431 <filter>'detail.txt' in outputs_selected</filter>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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432 <actions>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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433 <action name="comment_lines" type="metadata" default="1" />
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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434 <action name="column_names" type="metadata" default="spectrum_title,peptide,modification,exp_mass,pep_mass,tol_ppm,tol_da,isotope_error,score" />
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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435 </actions>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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436 </data>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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437
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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438 <data name="ptm_txt" format="tabular" from_work_dir="pepquery_output/ptm.txt" label="${tool.name} on ${on_string}: ptm.txt">
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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439 <filter>'ptm.txt' in outputs_selected</filter>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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440 <actions>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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441 <action name="comment_lines" type="metadata" default="1" />
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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442 <action name="column_names" type="metadata" default="spectrum_title,peptide,charge,exp_mass,pep_mass,tol_ppm,tol_da,isotope_error,modification,score" />
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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443 </actions>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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444 </data>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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445 <data name="ptm_detail_txt" format="tabular" from_work_dir="pepquery_output/ptm_detail.txt" label="${tool.name} on ${on_string}: ptm_detail.txt">
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
446 <filter>'ptm_detail.txt' in outputs_selected</filter>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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447 <actions>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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diff changeset
448 <action name="comment_lines" type="metadata" default="1" />
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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449 <action name="column_names" type="metadata" default="peptide,modification,n,spectrum_title,charge,exp_mass,tol_ppm,tol_da,isotope_error,pep_mass,mz,score,n_db,total_db,n_random,total_random,pvalue,rank,ptm_spectrum_title,ptm_peptide,ptm_charge,ptm_exp_mass,ptm_pep_mass,ptm_tol_ppm,ptm_tol_da,ptm_isotope_error,ptm_modification,ptm_score" />
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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450 </actions>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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451 </data>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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452
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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453 </outputs>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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454 <tests>
1
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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455 <!-- Test-1 PepQueryDB peptide gencode:human -->
0
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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456 <test>
1
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
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diff changeset
457 <conditional name="validation">
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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diff changeset
458 <param name="task_type" value="novel"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
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diff changeset
459 </conditional>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
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diff changeset
460 <section name="req_inputs">
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
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diff changeset
461 <conditional name="input_type">
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
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diff changeset
462 <param name="input_type_selector" value="peptide"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
463 <conditional name="multiple">
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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diff changeset
464 <param name="peptide_input_selector" value="single" />
3
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
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diff changeset
465 <param name="input" value="LVVVGADGVGK,AHSSMVGVNLPQK"/>
1
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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466 </conditional>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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467 </conditional>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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diff changeset
468 <conditional name="db_type">
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
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diff changeset
469 <param name="db_type_selector" value="download" />
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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diff changeset
470 <param name="db_id" value="gencode:human"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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471 </conditional>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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diff changeset
472 <conditional name="ms_dataset">
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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diff changeset
473 <param name="ms_dataset_type" value="PepQueryDB"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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474 <param name="dataset" value="CPTAC_LUAD_Discovery_Study_Proteome_PDC000153" />
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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475 </conditional>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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diff changeset
476 <param name="indexType" value="1"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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diff changeset
477 </section>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
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diff changeset
478 <param name="parameter_set" value=""/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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diff changeset
479 <section name="modifications">
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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diff changeset
480 <param name="fixed_mod" value="1"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
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diff changeset
481 <param name="var_mod" value="2"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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diff changeset
482 <param name="max_mods" value="3"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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diff changeset
483 <param name="unmodified" value="True"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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diff changeset
484 <param name="aa" value="False"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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diff changeset
485 </section>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
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diff changeset
486 <section name="digestion">
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
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diff changeset
487 <param name="enzyme" value="1"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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diff changeset
488 <param name="max_missed_cleavages" value="2"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
489 </section>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
490 <section name="ms_params">
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
491 <section name="tolerance_params">
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
492 <param name="precursor_tolerance" value="10"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
493 <param name="precursor_unit" value="ppm"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
494 <param name="tolerance" value="0.6"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
495 </section>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
496 <section name="search">
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
497 <param name="frag_method" value="1"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
498 <param name="scoring_method" value="1"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
499 <param name="extra_score_validation" value="False"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
500 <param name="min_charge" value="2"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
501 <param name="max_charge" value="3"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
502 <param name="min_peaks" value="10"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
503 <param name="isotope_error" value="0"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
504 <param name="min_score" value="12"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
505 <param name="min_length" value="7"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
506 <param name="max_length" value="45"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
507 <param name="num_random_peptides" value="1000"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
508 </section>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
509 </section>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
510 <output name="psm_txt">
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
511 <assert_contents>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
512 <has_text text="LVVVGADGVGK" />
3
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
513 <not_has_text text="AHSSMVGVNLPQK" />
1
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
514 <has_text text="02CPTAC_LUAD_W_BI_20180518_KR_f15:25149:2" />
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
515 </assert_contents>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
516 </output>
3
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
517 <output name="log_txt">
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
518 <assert_contents>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
519 <has_text text="Ignore peptide (reason: exist in reference database): AHSSMVGVNLPQK" />
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
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520 </assert_contents>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
521 </output>
1
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
522 </test>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
523
3
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
524 <!-- Test-2 PepQueryDB peptide gencode:human pep.txt -->
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
525 <test>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
526 <conditional name="validation">
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
527 <param name="task_type" value="novel"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
528 </conditional>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
529 <section name="req_inputs">
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
530 <conditional name="input_type">
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
531 <param name="input_type_selector" value="peptide"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
532 <conditional name="multiple">
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
533 <param name="peptide_input_selector" value="multiple" />
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
534 <param name="input" ftype="tabular" value="pep.txt"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
535 </conditional>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
536 </conditional>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
537 <conditional name="db_type">
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
538 <param name="db_type_selector" value="download" />
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
539 <param name="db_id" value="gencode:human"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
540 </conditional>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
541 <conditional name="ms_dataset">
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
542 <param name="ms_dataset_type" value="PepQueryDB"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
543 <param name="dataset" value="CPTAC_LUAD_Discovery_Study_Proteome_PDC000153" />
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
544 </conditional>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
545 <param name="indexType" value="1"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
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diff changeset
546 </section>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
547 <param name="parameter_set" value=""/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
548 <section name="modifications">
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
549 <param name="fixed_mod" value="1"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
550 <param name="var_mod" value="2"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
551 <param name="max_mods" value="3"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
552 <param name="unmodified" value="True"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
553 <param name="aa" value="False"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
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diff changeset
554 </section>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
555 <section name="digestion">
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
556 <param name="enzyme" value="1"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
557 <param name="max_missed_cleavages" value="2"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
558 </section>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
559 <section name="ms_params">
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
560 <section name="tolerance_params">
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
561 <param name="precursor_tolerance" value="10"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
562 <param name="precursor_unit" value="ppm"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
563 <param name="tolerance" value="0.6"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
564 </section>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
565 <section name="search">
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
566 <param name="frag_method" value="1"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
567 <param name="scoring_method" value="1"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
568 <param name="extra_score_validation" value="False"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
569 <param name="min_charge" value="2"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
570 <param name="max_charge" value="3"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
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diff changeset
571 <param name="min_peaks" value="10"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
572 <param name="isotope_error" value="0"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
573 <param name="min_score" value="12"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
574 <param name="min_length" value="7"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
575 <param name="max_length" value="45"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
576 <param name="num_random_peptides" value="1000"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
577 </section>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
578 </section>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
579 <output name="psm_txt">
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
580 <assert_contents>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
581 <has_text text="LVVVGADGVGK" />
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
582 <not_has_text text="AHSSMVGVNLPQK" />
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
583 <has_text text="02CPTAC_LUAD_W_BI_20180518_KR_f15:25149:2" />
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
584 </assert_contents>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
585 </output>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
586 <output name="log_txt">
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
587 <assert_contents>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
588 <has_text text="Ignore peptide (reason: exist in reference database): AHSSMVGVNLPQK" />
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
589 </assert_contents>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
590 </output>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
591 </test>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
592
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
galaxyp
parents: 2
diff changeset
593 <!-- Test-3 MGF peptide Uniprot.fasta -->
1
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
594 <test>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
595 <conditional name="validation">
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
596 <param name="task_type" value="novel"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
597 </conditional>
0
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
598 <section name="req_inputs">
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
599 <conditional name="input_type">
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
600 <param name="input_type_selector" value="peptide"/>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
601 <conditional name="multiple">
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
602 <param name="peptide_input_selector" value="single" />
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
603 <param name="input" value="ELGSSDLTAR"/>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
604 </conditional>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
605 </conditional>
1
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
606 <conditional name="db_type">
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
607 <param name="db_type_selector" value="history" />
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
608 <param name="db_file" ftype="fasta" value="Uniprot.fasta"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
609 </conditional>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
610 <conditional name="ms_dataset">
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
611 <param name="ms_dataset_type" value="history"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
612 <param name="spectrum_files" ftype="mgf" value="iTRAQ_f4.mgf"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
613 </conditional>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
614 <param name="indexType" value="1"/>
0
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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diff changeset
615 </section>
1
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
616 <param name="parameter_set" value=""/>
0
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
617 <section name="modifications">
1
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
618 <!-- 21: iTRAQ 4-plex of K [144.1020624208] -->
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
619 <!-- 22: iTRAQ 4-plex of peptide N-term [144.1020624208] -->
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
620 <param name="fixed_mod" value="1,21,22"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
621 <!-- 2: Oxidation of M [15.99491461956] -->
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
622 <param name="var_mod" value="2"/>
0
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
623 <param name="max_mods" value="3"/>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
624 <param name="unmodified" value="True"/>
1
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
625 <param name="aa" value="False"/>
0
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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diff changeset
626 </section>
1
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
627 <section name="digestion">
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
628 <param name="enzyme" value="1"/>
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
629 <param name="max_missed_cleavages" value="2"/>
0
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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diff changeset
630 </section>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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diff changeset
631 <section name="ms_params">
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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diff changeset
632 <section name="tolerance_params">
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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diff changeset
633 <param name="precursor_tolerance" value="10"/>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
634 <param name="precursor_unit" value="ppm"/>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
635 <param name="tolerance" value="0.6"/>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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diff changeset
636 </section>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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diff changeset
637 <section name="search">
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
638 <param name="frag_method" value="1"/>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
639 <param name="scoring_method" value="1"/>
1
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
640 <param name="extra_score_validation" value="False"/>
0
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
641 <param name="min_charge" value="2"/>
1
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
642 <param name="max_charge" value="3"/>
0
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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diff changeset
643 <param name="min_peaks" value="10"/>
1
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
644 <param name="isotope_error" value="0"/>
0
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
645 <param name="min_score" value="12"/>
1
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
646 <param name="min_length" value="7"/>
0
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
647 <param name="max_length" value="45"/>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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diff changeset
648 <param name="num_random_peptides" value="1000"/>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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diff changeset
649 </section>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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diff changeset
650 </section>
1
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
651 <output name="psm_txt">
0
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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diff changeset
652 <assert_contents>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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diff changeset
653 <has_text text="ELGSSDLTAR" />
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
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diff changeset
654 </assert_contents>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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diff changeset
655 </output>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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656 <output name="psm_rank_txt">
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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657 <assert_contents>
1
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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658 <has_text text="ELGSSDLTAR" />
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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659 <has_line_matching expression="ELGSSDLTAR\tiTRAQ 4-plex of peptide N-term@0\[144.1\d+\]\t2\tiTRAQ_f4:3:2\t2\t1191.62\d+\t-3.04\d+\t-0.003\d+\t0.0\t1191.6\d+\t596.8\d+\t24.1\d+\t0\t0\t1\t995\t0.002\d+\t1\t0\tYes\t24.1\d+\t24.1\d+"/>
0
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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660 </assert_contents>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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661 </output>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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662 </test>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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663
3
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
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664 <!-- Test-4 PepQueryDB known peptide gencode:human pep.txt -->
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
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665 <test>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
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666 <conditional name="validation">
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
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667 <param name="task_type" value="known"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
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668 </conditional>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
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669 <section name="req_inputs">
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
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670 <conditional name="input_type">
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
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671 <param name="input_type_selector" value="peptide"/>
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672 <conditional name="multiple">
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
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673 <param name="peptide_input_selector" value="single" />
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
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674 <param name="input" value="AHSSMVGVNLPQK"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
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675 </conditional>
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676 </conditional>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
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677 <conditional name="db_type">
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678 <param name="db_type_selector" value="download" />
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
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679 <param name="db_id" value="gencode:human"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
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680 </conditional>
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681 <conditional name="ms_dataset">
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
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682 <param name="ms_dataset_type" value="PepQueryDB"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
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683 <param name="dataset" value="CPTAC_LUAD_Discovery_Study_Proteome_PDC000153" />
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
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684 </conditional>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
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685 <param name="indexType" value="1"/>
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
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686 </section>
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687 <section name="modifications">
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688 <param name="unmodified" value="True"/>
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689 </section>
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690 <output name="psm_txt">
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
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691 <assert_contents>
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692 <has_text text="AHSSMVGVNLPQK" />
d8962e547c9c planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit ea7f4bae8a2ae72470b895476faf9a368496aa8d
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693 <has_text text="6CPTAC_LUAD_W_BI_20180718_KL_f12:20286:3" />
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694 </assert_contents>
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695 </output>
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696 </test>
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697
0
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698 </tests>
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699 <help><![CDATA[
1
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700 **PepQuery2**
0
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701
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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702 PepQuery_ is a universal targeted peptide search engine for identifying or validating known and novel peptides of interest in any local or publicly available mass spectrometry-based proteomics datasets.
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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703
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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704
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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705 PepQuery_ is a peptide-centric search engine for novel peptide identification and validation. Cancer genomics studies have identified a large number of genomic alterations that may lead to novel, cancer-specific protein sequences. Proteins resulted from these genomic alterations are attractive candidates for cancer biomarkers and therapeutic targets. The leading approach to proteomic validation of genomic alterations is to analyze tandem mass spectrometry (MS/MS) data using customized proteomics databases created from genomics data. Such analysis is time-consuming and requires thorough training and detailed knowledge in proteomics data analysis, leading to a gap between MS/MS data and the cancer genomics community. PepQuery does not require customized databases and allows quick and easy proteomic validation of genomic alterations.
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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706
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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707 PepQuery2 leverages a new MS/MS indexing approach and cloud storage to enable ultrafast, targeted identification of both novel and known peptides. PepQuery2 allows users to search more than one billion MS/MS data indexed in the PepQueryDB from any computers with internet access. It also supports direct analysis of user provided MS/MS data, any public datasets in PRIDE, MassIVE, jPOSTrepo and iProX, or Universal Spectrum Identifiers (USIs) from ProteomeXchange.
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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708
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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709 **Inputs**
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710 - A sequence to match, one of the following:
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711
1
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712 - A peptide string (or strings separated by commas)
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713 - A history dataset with a list of peptides
0
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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714 - A protein string or a history dataset with a protein fasta
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715 - A DNA string that is at least 60 base pairs in length
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716
1
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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diff changeset
717
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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718 - MS/MS data used for identification, one of the following:
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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diff changeset
719
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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720 - Mass Spectrometry history datasets in MGF, mzML, or mzXML format
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721 - An Indexed MS/MS dataset (from previous PepQuery2 run or from **PepQuery2 index** tool.)
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722 - PepQueryDB dataset IDs
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723
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724 ..
0
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725
1
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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diff changeset
726 Multiple datasets from PepQueryDB must be separated by comma. A pattern to match datasets in PepQueryDB is also supported, for example, use 'CPTAC' to search all datasets contain 'CPTAC'. In addition, dataset selection from PepQueryDB based on data type (w:global proteome, p:phosphorylation, a:acetylation, u:ubiquitination, g:glycosylation) is also supported. For example, use 'p' to search all phosphoproteomics datasets in PepQueryDB. The **PepQuery2 Show Sets** tool will list available PepQueryDB datasets.
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diff changeset
727
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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728
0
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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729 - Dataset IDs from public proteomics data repositories: PRIDE, MassIVE, jPOSTrepo and iProX
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730
1
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
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731 ..
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732
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733 Dataset ID from public proteomics data repositories, one dataset is supported for each analysis. For example, use 'PXD000529' to use all MS/MS data from dataset PXD000529 or use 'PXD000529:LM3' to use data files containing LM3 from dataset PXD000529
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734
0
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
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diff changeset
735 - A reference protein fasta database, novel peptides matching a reference sequence will be excluded.
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
736
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
737 - A protein fasta file
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
738 - The ID for a public reference protein database from RefSeq, GENCODE, Ensembl or UniProt.
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
739
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
740
1
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
741 **Options**
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
742
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
743 - MS/MS searching parameter set name
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
744
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
745 ..
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
746
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
747 Setting a *parameter set name* will change defaults for various options, These may be overridden by manually setting the option.
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
748 The **PepQuery2 Show Sets** tool *PepQuery Predefined Parameter Sets* will list those available along with the option values that will be set.
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
749 The **PepQuery2 Show Sets** tool *PepQuery Datasets* column *parameter_set* column for each PepQueryDB dataset.
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
750
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
751
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
752 - Override default options
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
753
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
754 ..
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
755
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
756 Values for modifications are provided in a select list.
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
757 The **PepQuery2 Show Sets** tool *PepQuery Modifications* lists all available modifications.
6b5ce9e2b0d0 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 3f50a508dbb9050be48de5685cec9a82683d8457
galaxyp
parents: 0
diff changeset
758
0
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
759 **Outputs**
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
760 - Parameters:
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
761
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
762 - parameters used in the search
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
763
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
764 - PSM - tabular with columns:
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
765
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
766 - peptide modification n spectrum_title charge exp_mass ppm pep_mass mz score n_db total_db n_random total_random pvalue
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
767
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
768 - PSM Rank - tabular with columns:
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
769
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
770 - peptide modification n spectrum_title charge exp_mass ppm pep_mass mz score n_db total_db n_random total_random pvalue rank *n_ptm*
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
771
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
772 - An MGF with the best matching spectrums
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
773
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
774 - Detail - tabular with columns:
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
775
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
776 - spectrum_title peptide modification pep_mass score
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
777
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
778 - PSM annotation - tabular with columns:
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
779
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
780 - peptide Query calc_mr observed_mz charge pepSeq m_label m_mz m_intensity mz intensity
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
781
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
782 - PTM - tabular with columns:
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
783
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
784 - spectrum_title peptide charge exp_mass pep_mass tol_ppm tol_da isotope_error modification score
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
785
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
786 - PTM Detail - tabular with columns:
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
787
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
788 - peptide modification n spectrum_title charge exp_mass tol_ppm tol_da isotope_error pep_mass mz score n_db total_db n_random total_random pvalue rank ptm_spectrum_title ptm_peptide ptm_charge ptm_exp_mass ptm_pep_mass ptm_tol_ppm ptm_tol_da ptm_isotope_error ptm_modification ptm_score
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
789
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
790 - An Indexed MS/MS dataset *when MS/MS data is MGF, mzML, or mzXML history datasets*
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
791
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
792 The *n_ptm* field is added when using unrestricted modification searching (-um).
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
793
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
794 .. _PepQuery: http://pepquery.org/document.html
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
795
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
796 ]]></help>
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
797 <expand macro="citations" />
3c45645197f6 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pepquery2 commit 05525c46f05b74566fc162f5ad9c792f3e28811d
galaxyp
parents:
diff changeset
798 </tool>