annotate DigestorMotif.xml @ 12:01f5e95b5961 draft default tip

planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 3d1e5f37fd16524a415f707772eeb7ead848c5e3

<?xml version='1.0' encoding='UTF-8'?>
<!--This is a configuration file for the integration of a tools into Galaxy (https://galaxyproject.org/). This file was automatically generated using CTDConverter.-->
<!--Proposed Tool Section: [Utilities]-->
<tool id="DigestorMotif" name="DigestorMotif" version="@TOOL_VERSION@+galaxy@VERSION_SUFFIX@" profile="21.05">
  <description>digests a protein database in-silico</description>
  <macros>
    <token name="@EXECUTABLE@">DigestorMotif</token>
    <import>macros.xml</import>
  </macros>
  <expand macro="requirements"/>
  <expand macro="stdio"/>
  <command detect_errors="exit_code"><![CDATA[@QUOTE_FOO@
@EXT_FOO@
#import re

## Preprocessing
mkdir in &&
ln -s '$in' 'in/${re.sub("[^\w\-_]", "_", $in.element_identifier)}.$gxy2omsext($in.ext)' &&
mkdir out &&

## Main program call

set -o pipefail &&
@EXECUTABLE@ -write_ctd ./ &&
python3 '$__tool_directory__/fill_ctd.py' '@EXECUTABLE@.ctd' '$args_json' '$hardcoded_json' &&
@EXECUTABLE@ -ini @EXECUTABLE@.ctd
-in
'in/${re.sub("[^\w\-_]", "_", $in.element_identifier)}.$gxy2omsext($in.ext)'
-out
'out/output.${gxy2omsext("idxml")}'

## Postprocessing
&& mv 'out/output.${gxy2omsext("idxml")}' '$out'
#if "ctd_out_FLAG" in $OPTIONAL_OUTPUTS
  && mv '@EXECUTABLE@.ctd' '$ctd_out'
#end if]]></command>
  <configfiles>
    <inputs name="args_json" data_style="paths"/>
    <configfile name="hardcoded_json"><![CDATA[{"log": "log.txt", "threads": "\${GALAXY_SLOTS:-1}", "no_progress": true}]]></configfile>
  </configfiles>
  <inputs>
    <param argument="-in" type="data" format="fasta" optional="false" label="FASTA input file" help=" select fasta data sets(s)"/>
    <param argument="-missed_cleavages" type="integer" optional="true" min="0" value="1" label="the number of allowed missed cleavages" help=""/>
    <param argument="-mass_accuracy" type="integer" optional="true" value="1000" label="give your mass accuracy in pp" help=""/>
    <param argument="-min_length" type="integer" optional="true" value="6" label="minimum length of peptide" help=""/>
    <param argument="-out_option" type="integer" optional="true" value="1" label="indicate 1 (peptide table only), 2 (statistics only) or (both peptide table + statistics)" help=""/>
    <param argument="-enzyme" type="select" optional="true" label="The enzyme used for peptide digestion" help="">
      <option value="Arg-C/P">Arg-C/P</option>
      <option value="Asp-N">Asp-N</option>
      <option value="Asp-N/B">Asp-N/B</option>
      <option value="Arg-C">Arg-C</option>
      <option value="glutamyl endopeptidase">glutamyl endopeptidase</option>
      <option value="Alpha-lytic protease">Alpha-lytic protease</option>
      <option value="no cleavage">no cleavage</option>
      <option value="unspecific cleavage">unspecific cleavage</option>
      <option value="Glu-C+P">Glu-C+P</option>
      <option value="PepsinA + P">PepsinA + P</option>
      <option value="cyanogen-bromide">cyanogen-bromide</option>
      <option value="Clostripain/P">Clostripain/P</option>
      <option value="elastase-trypsin-chymotrypsin">elastase-trypsin-chymotrypsin</option>
      <option value="Asp-N_ambic">Asp-N_ambic</option>
      <option value="Chymotrypsin">Chymotrypsin</option>
      <option value="Chymotrypsin/P">Chymotrypsin/P</option>
      <option value="CNBr">CNBr</option>
      <option value="Formic_acid">Formic_acid</option>
      <option value="Lys-C">Lys-C</option>
      <option value="Lys-N">Lys-N</option>
      <option value="Lys-C/P">Lys-C/P</option>
      <option value="PepsinA">PepsinA</option>
      <option value="TrypChymo">TrypChymo</option>
      <option value="Trypsin/P">Trypsin/P</option>
      <option value="V8-DE">V8-DE</option>
      <option value="V8-E">V8-E</option>
      <option value="leukocyte elastase">leukocyte elastase</option>
      <option value="proline endopeptidase">proline endopeptidase</option>
      <option value="2-iodobenzoate">2-iodobenzoate</option>
      <option value="iodosobenzoate">iodosobenzoate</option>
      <option value="staphylococcal protease/D">staphylococcal protease/D</option>
      <option value="proline-endopeptidase/HKR">proline-endopeptidase/HKR</option>
      <option value="Trypsin" selected="true">Trypsin</option>
      <expand macro="list_string_san" name="enzyme"/>
    </param>
    <param argument="-motif" type="text" optional="true" value="M" label="the motif for the restricted peptidome" help="">
      <expand macro="list_string_san" name="motif"/>
    </param>
    <expand macro="adv_opts_macro">
      <param argument="-force" type="boolean" truevalue="true" falsevalue="false" checked="false" label="Overrides tool-specific checks" help=""/>
      <param argument="-test" type="hidden" optional="true" value="False" label="Enables the test mode (needed for internal use only)" help="">
        <expand macro="list_string_san" name="test"/>
      </param>
    </expand>
    <param name="OPTIONAL_OUTPUTS" type="select" optional="true" multiple="true" label="Optional outputs">
      <option value="ctd_out_FLAG">Output used ctd (ini) configuration file</option>
    </param>
  </inputs>
  <outputs>
    <data name="out" label="${tool.name} on ${on_string}: out" format="idxml"/>
    <data name="ctd_out" format="xml" label="${tool.name} on ${on_string}: ctd">
      <filter>OPTIONAL_OUTPUTS is not None and "ctd_out_FLAG" in OPTIONAL_OUTPUTS</filter>
    </data>
  </outputs>
  <tests/>
  <help><![CDATA[digests a protein database in-silico


For more information, visit http://www.openms.de/doxygen/release/2.8.0/html/UTILS_DigestorMotif.html]]></help>
  <expand macro="references"/>
</tool>