diff PercolatorAdapter.xml @ 0:0e7bb87aa55c draft

planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/openms commit 58476cadaaf10b494317a604ad81d41c2d15f29b

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/PercolatorAdapter.xml	Mon Feb 12 13:23:13 2018 -0500
@@ -0,0 +1,196 @@
+<?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: [ID Processing]-->
+<tool id="PercolatorAdapter" name="PercolatorAdapter" version="2.3.0">
+  <description>Facilitate input to Percolator and reintegrate.</description>
+  <macros>
+    <token name="@EXECUTABLE@">PercolatorAdapter</token>
+    <import>macros.xml</import>
+  </macros>
+  <expand macro="references"/>
+  <expand macro="stdio"/>
+  <expand macro="requirements"/>
+  <command>PercolatorAdapter
+
+-in
+  #for token in $param_in:
+    $token
+  #end for
+-in_decoy
+  #for token in $param_in_decoy:
+    $token
+  #end for
+#if $param_out:
+  -out $param_out
+#end if
+#if $param_mzid_out:
+  -mzid_out $param_mzid_out
+#end if
+#if $param_enzyme:
+  -enzyme
+  #if " " in str($param_enzyme):
+    "$param_enzyme"
+  #else
+    $param_enzyme
+  #end if
+#end if
+#if $param_percolator_executable:
+  -percolator_executable $param_percolator_executable
+#end if
+#if $param_peptide_level_fdrs:
+  -peptide-level-fdrs
+#end if
+#if $param_protein_level_fdrs:
+  -protein-level-fdrs
+#end if
+#if $param_weights:
+  -weights $param_weights
+#end if
+#if $adv_opts.adv_opts_selector=='advanced':
+    #if $adv_opts.param_generic_feature_set:
+  -generic-feature-set
+#end if
+    #if $adv_opts.param_subset_max_train:
+  -subset-max-train $adv_opts.param_subset_max_train
+#end if
+    #if $adv_opts.param_cpos:
+  -cpos $adv_opts.param_cpos
+#end if
+    #if $adv_opts.param_cneg:
+  -cneg $adv_opts.param_cneg
+#end if
+    #if $adv_opts.param_testFDR:
+  -testFDR $adv_opts.param_testFDR
+#end if
+    #if $adv_opts.param_trainFDR:
+  -trainFDR $adv_opts.param_trainFDR
+#end if
+    #if $adv_opts.param_maxiter:
+  -maxiter $adv_opts.param_maxiter
+#end if
+    #if $adv_opts.param_quick_validation:
+  -quick-validation
+#end if
+    #if $adv_opts.param_init_weights:
+  -init-weights $adv_opts.param_init_weights
+#end if
+    #if $adv_opts.param_default_direction:
+  -default-direction     "$adv_opts.param_default_direction"
+#end if
+    #if $adv_opts.param_verbose:
+  -verbose $adv_opts.param_verbose
+#end if
+    #if $adv_opts.param_unitnorm:
+  -unitnorm
+#end if
+    #if $adv_opts.param_test_each_iteration:
+  -test-each-iteration
+#end if
+    #if $adv_opts.param_override:
+  -override
+#end if
+    #if $adv_opts.param_seed:
+  -seed $adv_opts.param_seed
+#end if
+    #if $adv_opts.param_doc:
+  -doc $adv_opts.param_doc
+#end if
+    #if $adv_opts.param_klammer:
+  -klammer
+#end if
+    #if $adv_opts.param_fasta:
+  -fasta $adv_opts.param_fasta
+#end if
+    #if $adv_opts.param_decoy_pattern:
+  -decoy-pattern     "$adv_opts.param_decoy_pattern"
+#end if
+    #if $adv_opts.param_post_processing_tdc:
+  -post-processing-tdc
+#end if
+    #if $adv_opts.param_force:
+  -force
+#end if
+#end if
+</command>
+  <inputs>
+    <param name="param_in" type="data" format="mzid,idxml" multiple="true" optional="False" size="30" label="Input file(s)" help="(-in) ">
+      <sanitizer>
+        <valid initial="string.printable">
+          <remove value="'"/>
+          <remove value="&quot;"/>
+        </valid>
+      </sanitizer>
+    </param>
+    <param name="param_in_decoy" type="data" format="mzid,idxml" multiple="true" optional="True" size="30" label="Input decoy file(s) in case of separate searches" help="(-in_decoy) ">
+      <sanitizer>
+        <valid initial="string.printable">
+          <remove value="'"/>
+          <remove value="&quot;"/>
+        </valid>
+      </sanitizer>
+    </param>
+    <param name="param_enzyme" type="select" optional="False" value="trypsin" label="Type of enzyme: no_enzyme,elastase,pepsin,proteinasek,thermolysin,chymotrypsin,lys-n,lys-c,arg-c,asp-n,glu-c,trypsin" help="(-enzyme) ">
+      <option value="no_enzyme">no_enzyme</option>
+      <option value="elastase">elastase</option>
+      <option value="pepsin">pepsin</option>
+      <option value="proteinasek">proteinasek</option>
+      <option value="thermolysin">thermolysin</option>
+      <option value="chymotrypsin">chymotrypsin</option>
+      <option value="lys-n">lys-n</option>
+      <option value="lys-c">lys-c</option>
+      <option value="arg-c">arg-c</option>
+      <option value="asp-n">asp-n</option>
+      <option value="glu-c">glu-c</option>
+      <option value="trypsin" selected="true">trypsin</option>
+    </param>
+    <param name="param_percolator_executable" type="data" format="txt" value="percolator" label="Percolator executable of the installation" help="(-percolator_executable) e.g. 'percolator.exe'"/>
+    <param name="param_peptide_level_fdrs" display="radio" type="boolean" truevalue="-peptide-level-fdrs" falsevalue="" checked="false" optional="True" label="Calculate peptide-level FDRs instead of PSM-level FDRs" help="(-peptide-level-fdrs) "/>
+    <param name="param_protein_level_fdrs" display="radio" type="boolean" truevalue="-protein-level-fdrs" falsevalue="" checked="false" optional="True" label="Use the picked protein-level FDR to infer protein probabilities" help="(-protein-level-fdrs) Use the -fasta option and -decoy-pattern to set the Fasta file and decoy pattern"/>
+    <expand macro="advanced_options">
+      <param name="param_generic_feature_set" display="radio" type="boolean" truevalue="-generic-feature-set" falsevalue="" checked="false" optional="True" label="Use only generic (i.e" help="(-generic-feature-set) not search engine specific) features. Generating search engine specific features for common search engines by PSMFeatureExtractor will typically boost the identification rate significantly"/>
+      <param name="param_subset_max_train" type="integer" value="0" label="Only train an SVM on a subset of &lt;x&gt; PSMs, and use the resulting score vector to evaluate the other PSMs" help="(-subset-max-train) Recommended when analyzing huge numbers (&gt;1 million) of PSMs. When set to 0, all PSMs are used for training as normal"/>
+      <param name="param_cpos" type="float" value="0.0" label="Cpos, penalty for mistakes made on positive examples" help="(-cpos) Set by cross validation if not specified"/>
+      <param name="param_cneg" type="float" value="0.0" label="Cneg, penalty for mistakes made on negative examples" help="(-cneg) Set by cross validation if not specified"/>
+      <param name="param_testFDR" type="float" value="0.01" label="False discovery rate threshold for evaluating best cross validation result and the reported end result" help="(-testFDR) "/>
+      <param name="param_trainFDR" type="float" value="0.01" label="False discovery rate threshold to define positive examples in training" help="(-trainFDR) Set to testFDR if 0"/>
+      <param name="param_maxiter" type="integer" value="10" label="Maximal number of iterations" help="(-maxiter) "/>
+      <param name="param_quick_validation" display="radio" type="boolean" truevalue="-quick-validation" falsevalue="" checked="false" optional="True" label="Quicker execution by reduced internal cross-validation" help="(-quick-validation) "/>
+      <param name="param_init_weights" type="data" format="txt" label="Read initial weights to the given file" help="(-init-weights) "/>
+      <param name="param_default_direction" type="text" size="30" label="The most informative feature given as the feature name, can be negated to indicate that a lower value is bette" help="(-default-direction) ">
+        <sanitizer>
+          <valid initial="string.printable">
+            <remove value="'"/>
+            <remove value="&quot;"/>
+          </valid>
+        </sanitizer>
+      </param>
+      <param name="param_verbose" type="integer" value="2" label="Set verbosity of output: 0=no processing info, 5=all" help="(-verbose) "/>
+      <param name="param_unitnorm" display="radio" type="boolean" truevalue="-unitnorm" falsevalue="" checked="false" optional="True" label="Use unit normalization [0-1] instead of standard deviation normalization" help="(-unitnorm) "/>
+      <param name="param_test_each_iteration" display="radio" type="boolean" truevalue="-test-each-iteration" falsevalue="" checked="false" optional="True" label="Measure performance on test set each iteration" help="(-test-each-iteration) "/>
+      <param name="param_override" display="radio" type="boolean" truevalue="-override" falsevalue="" checked="false" optional="True" label="Override error check and do not fall back on default score vector in case of suspect score vecto" help="(-override) "/>
+      <param name="param_seed" type="integer" value="1" label="Setting seed of the random number generato" help="(-seed) "/>
+      <param name="param_doc" type="integer" value="0" label="Include description of correct features" help="(-doc) "/>
+      <param name="param_klammer" display="radio" type="boolean" truevalue="-klammer" falsevalue="" checked="false" optional="True" label="Retention time features calculated as in Klammer et al" help="(-klammer) Only available if -doc is set"/>
+      <param name="param_fasta" type="data" format="fasta" optional="True" label="Provide the fasta file as the argument to this flag, which will be used for protein grouping based on an in-silico digest (only valid if option -protein-level-fdrs is active)" help="(-fasta) "/>
+      <param name="param_decoy_pattern" type="text" size="30" value="random" label="Define the text pattern to identify the decoy proteins and/or PSMs, set this up if the label that identifies the decoys in the database is not the default (Only valid if option -protein-level-fdrs is active)" help="(-decoy-pattern) ">
+        <sanitizer>
+          <valid initial="string.printable">
+            <remove value="'"/>
+            <remove value="&quot;"/>
+          </valid>
+        </sanitizer>
+      </param>
+      <param name="param_post_processing_tdc" display="radio" type="boolean" truevalue="-post-processing-tdc" falsevalue="" checked="false" optional="True" label="Use target-decoy competition to assign q-values and PEPs" help="(-post-processing-tdc) "/>
+      <param name="param_force" display="radio" type="boolean" truevalue="-force" falsevalue="" checked="false" optional="True" label="Overwrite tool specific checks" help="(-force) "/>
+    </expand>
+  </inputs>
+  <outputs>
+    <data name="param_out" format="idxml"/>
+    <data name="param_mzid_out" format="mzid"/>
+    <data name="param_weights" format="data"/>
+  </outputs>
+  <help>Facilitate input to Percolator and reintegrate.
+
+
+For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_PercolatorAdapter.html</help>
+</tool>