diff silac_analyzer.xml @ 2:cf0d72c7b482 draft

Update.

--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/silac_analyzer.xml	Fri May 10 17:31:05 2013 -0400
@@ -0,0 +1,74 @@
+<tool id="silac_analyzer" version="0.1.0" name="SILACAnalyzer">
+  <description>
+  </description>
+  <macros>
+    <import>macros.xml</import>
+  </macros>
+  <expand macro="stdio" />
+  <expand macro="requires" />
+  <command interpreter="python">
+    openms_wrapper.py 
+    --executable 'SILACAnalyzer' --config $config
+  </command>
+  <configfiles>
+    <configfile name="config">[simple_options]
+in=$input1
+out=$out
+sample!labels=[${labels}]
+sample!missed_cleavages=${missed_cleavages}
+sample!charge=${min_charge}:${max_charge}
+sample!peaks_per_peptide=${min_peaks_per_peptide}:${max_peaks_per_peptide}
+algorithm!rt_threshold=$rt_threshold
+algorithm!rt_min=$rt_min
+algorithm!intensity_cutoff=$intensity_cutoff
+algorithm!intensity_correlation=$intensity_correlation
+algorithm!model_deviation=$model_deviation
+</configfile>
+  </configfiles>
+  <inputs>
+    <param name="input1" type="data" format="mzml" label="Input peak list" />
+    <!-- TODO -->
+    <param name="labels" type="select" multiple="true" label="Labels">
+      <option value="Arg6" >Arg6</option>
+      <option value="Arg10">Arg10</option>
+      <option value="Lys4" >Lys4</option>
+      <option value="Lys6" >Lys6</option>
+      <option value="Lys8" >Lys8</option>
+      <option value="dICPL4" >dICPL4</option>
+      <option value="dICPL6" >dICPL6</option>
+      <option value="dICPL10" >dICPL10</option>
+      <option value="Methyl4" >Methyl4</option>
+      <option value="Methyl8" >Methyl8</option>
+      <option value="Methyl12" >Methyl12</option>
+      <option value="Methyl16" >Methyl16</option>
+      <option value="Methyl24" >Methyl24</option>
+      <option value="Methyl32" >Methyl32</option>
+    </param>
+    <param name="missed_cleavages" type="integer" value="2" label="Allowed Missed Cleavages" />
+    <expand macro="raw_feature_finder_params" />
+    <!--
+    <param name="rt_threshold" type="float" value="50" label="RT Threshold" help="Upper bound for the retention time [s] over which a characteristic peptide elutes." />
+    <param name="rt_min" type="float" value="0" label="RT Minimum" help="Lower bound for the retention time [s]." />
+    <param name="intensity_cutoff" type="float" value="10000" label="Intensity Cutoff" help="Lower bound for the intensity of isotopic peaks in a SILAC pattern." />
+    <param name="intensity_correlation" type="float" value="0.9" label="Intensity Correlation" help="Lower bound for the Pearson correlation coefficient, which measures how well intensity profiles of different isotopic peaks correlate." />
+    <param name="model_deviation" type="float" value="6" label="Model Deviation" help="Upper bound on the factor by which the ratios of observed isotopic peaks are allowed to differ from the ratios of the theoretic averagine model, i.e. ( theoretic_ratio / model_deviation ) &lt; observed_ratio &lt; ( theoretic_ratio * model_deviation )." />
+    <param name="min_charge" type="integer" value="1" label="Minimum Charge" />
+    <param name="max_charge" type="integer" value="5" label="Maximum Charge" />
+    <param name="min_peaks_per_peptide" type="integer" value="3" label="Minimum Number of Peaks Per Peptide" />
+    <param name="max_peaks_per_peptide" type="integer" value="5" label="Maximum Number of Peaks Per Peptide" />
+    -->
+  </inputs>
+  <outputs>
+    <data format="consensusxml" name="out" />
+  </outputs>
+  <help>
+**What it does**
+
+
+**Citation**
+
+For the underlying tool, please cite ``Marc Sturm, Andreas Bertsch, Clemens Gröpl, Andreas Hildebrandt, Rene Hussong, Eva Lange, Nico Pfeifer, Ole Schulz-Trieglaff, Alexandra Zerck, Knut Reinert, and Oliver Kohlbacher, 2008. OpenMS – an Open-Source Software Framework for Mass Spectrometry. BMC Bioinformatics 9: 163. doi:10.1186/1471-2105-9-163.`` and ``PepNovo: De Novo Peptide Sequencing via Probabilistic Network Modeling. Frank, A. and Pevzner, P. Analytical Chemistry 77:964-973, 2005.``.
+
+If you use this tool in Galaxy, please cite Chilton J, et al. https://bitbucket.org/galaxyp/galaxyp-toolshed-openms
+  </help>
+</tool>