Mercurial > repos > rnateam > vienna_rna
diff rnaeval.xml @ 0:031ad3250176 draft
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author | rnateam |
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date | Tue, 03 Feb 2015 04:59:51 -0500 |
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children | 2c5a9f01ba08 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/rnaeval.xml Tue Feb 03 04:59:51 2015 -0500 @@ -0,0 +1,77 @@ +<tool id="rnaeval" name="RNAeval" version="2.1.6.0"> + <description>Calculate energy of RNA sequences with given secondary structure</description> + <expand macro="requirements" /> + <expand macro="version_command" /> + <expand macro="stdio" /> + <macros> + <token name="@EXECUTABLE@">RNAeval</token> + <import>macros.xml</import> + </macros> + <command> +<![CDATA[ + RNAeval < $input > $tabularFile + -T$temperature -d$dangling + #if $varExists('$advancedOptions.noconversion') + $advancedOptions.noconversion + $advancedOptions.verbose + $advancedOptions.gquad + $advancedOptions.circ + $advancedOptions.logml + $advancedOptions.notetra + #end if +]]> + </command> + + <inputs> + <param format="text" name="input" type="data" label="Input file"/> + <param name="temperature" size="6" type="float" value="37.0" label="temperature [°C]" help="-T"/> + <param name="dangling" type="select" label="how to treat dangling end energies" help="-d"> + <option value="0">0: ignore dangling ends</option> + <option value="1">1: unpaired bases participate in one dangling end only</option> + <option value="2" selected="True">2: unpaired bases participate in all dangling ends</option> + <option value="3">3: allow coaxial stacking</option> + </param> + + <conditional name="advancedOptions"> + <param name="advancedSelector" type="select" label="advanced options"> + <option value="basic">basic Options</option> + <option value="advanced">advanced Options</option> + </param> + <when value="advanced"> + <param name="noconversion" type="boolean" truevalue="--noconv" falsevalue="" checked="false" label="No converstion from T->U" help="--noconv"/> + <param name="verbose" type="boolean" truevalue="--verbose" falsevalue="" checked="false" label="Print out energy of each loop in the structure." help="--verbose"/> + <param name="gquad" type="boolean" truevalue="--gquad" falsevalue="" checked="false" label="G-quadruplex formation prediction" help="--gquad"/> + <param name="circ" type="boolean" truevalue="--circ" falsevalue="" checked="false" label="Assume circular RNA" help="--circ"/> + <param name="logml" type="boolean" truevalue="--logML" falsevalue="" checked="false" label="Logarithmic energy functions for multi-loops" help="--logML"/> + <param name="notetra" type="boolean" truevalue="--noTetra" falsevalue="" checked="false" label="No stabilization for loops, hairpins etc." help="--noTetra"/> + </when> + </conditional> + </inputs> + <outputs> + <data format="txt" name="tabularFile"/> + </outputs> + <tests> + </tests> + <help> +<![CDATA[ +**RNAeval** +RNAeval evaluates the free energy of an RNA molecule in fixed secondary structure. Sequences and structures are read alternately from stdin. The energy in Kcal/Mol is written to stdout. + +----- + +**Input format** + +RNAeval requires one input file in a format similar to the Fasta format. The secondary strucures should be added after the sequence in dot-bracket notation. Sequence and structure can be interupted by an '&' to calculate the co-folding of two RNA-strands. + + +------ + +**Outputs** + +First line: the sequence, second line: the structure with its corresponding energy + + +]]> + </help> + <expand macro="requirements" /> +</tool>