Mercurial > repos > galaxyp > openms
diff RTPredict.xml @ 0:3070d71e0e5c draft
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author | bgruening |
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date | Thu, 16 Apr 2015 08:37:04 -0400 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/RTPredict.xml Thu Apr 16 08:37:04 2015 -0400 @@ -0,0 +1,73 @@ +<?xml version='1.0' encoding='UTF-8'?> +<tool id="RTPredict" name="RTPredict" version="2.0.0"> + <description>Predicts retention times for peptides using a model trained by RTModel.</description> + <macros> + <token name="@EXECUTABLE@">RTPredict</token> + <import>macros.xml</import> + </macros> + <expand macro="stdio"/> + <expand macro="requirements"/> + <command>RTPredict + +#if $param_in_id: + -in_id $param_in_id +#end if +#if $param_in_text: + -in_text $param_in_text +#end if +#if $param_svm_model: + -svm_model $param_svm_model +#end if +#if $param_total_gradient_time: + -total_gradient_time $param_total_gradient_time +#end if +-threads \${GALAXY_SLOTS:-24} +#if $param_out_id_file: + -out_id:file $param_out_id_file +#end if +#if $param_out_id_positive: + -out_id:positive $param_out_id_positive +#end if +#if $param_out_id_negative: + -out_id:negative $param_out_id_negative +#end if +#if $param_out_text_file: + -out_text:file $param_out_text_file +#end if +#if $adv_opts.adv_opts_selector=='advanced': + #if $adv_opts.param_max_number_of_peptides: + -max_number_of_peptides $adv_opts.param_max_number_of_peptides +#end if + #if $adv_opts.param_force: + -force +#end if + #if $adv_opts.param_out_id_rewrite_peptideidentification_rtmz: + -out_id:rewrite_peptideidentification_rtmz +#end if +#end if +</command> + <inputs> + <param name="param_in_id" type="data" format="idxml" optional="True" label="Peptides with precursor information" help="(-in_id) "/> + <param name="param_in_text" type="data" format="txt" optional="True" label="Peptides as text-based file" help="(-in_text) "/> + <param name="param_svm_model" type="data" format="txt" optional="False" label="svm model in libsvm format (can be produced by RTModel)" help="(-svm_model) "/> + <param name="param_total_gradient_time" type="float" min="1e-05" optional="True" value="1.0" label="The time (in seconds) of the gradient (peptide RT prediction)" help="(-total_gradient_time) "/> + <expand macro="advanced_options"> + <param name="param_max_number_of_peptides" type="integer" value="100000" label="The maximum number of peptides considered at once (bigger number will lead to faster results but needs more memory)" help="(-max_number_of_peptides) "/> + <param name="param_force" type="boolean" truevalue="-force" falsevalue="" checked="false" optional="True" label="Overwrite tool specific checks" help="(-force) "/> + <param name="param_out_id_rewrite_peptideidentification_rtmz" type="boolean" truevalue="-out_id:rewrite_peptideidentification_rtmz" falsevalue="" checked="false" optional="True" label="Rewrites each peptideidentification's rt and mz from prediction and calculation (according to the best hit)" help="(-rewrite_peptideidentification_rtmz) "/> + </expand> + </inputs> + <outputs> + <data name="param_out_id_file" format="idxml"/> + <data name="param_out_id_positive" format="idxml"/> + <data name="param_out_id_negative" format="idxml"/> + <data name="param_out_text_file" format="tabular"/> + </outputs> + <help>**What it does** + +Predicts retention times for peptides using a model trained by RTModel. + + +For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_RTPredict.html</help> + <expand macro="references"/> +</tool>