Mercurial > repos > galaxyp > ms2preproc
diff ms2preproc.xml @ 0:59e5d8c53c81 draft
Uploaded
author | galaxyp |
---|---|
date | Wed, 19 Dec 2012 00:27:24 -0500 |
parents | |
children |
line wrap: on
line diff
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/ms2preproc.xml Wed Dec 19 00:27:24 2012 -0500 @@ -0,0 +1,54 @@ +<tool id="ms2preproc" name="ms2preproc" version="0.1.0"> + <description>preprocess and filter MS/MS spectra</description> + + <command> + #if $window: + #set $window_arg = "-Z %s" % $window + #else + #set $window_arg = "" + #end if + ms2preproc --infile ${input} --outfile ${output} --informat mgf --top ${top} ${window_arg}; sed -i -e 's/,SCAN\(.*\)$/\nSCANS=\1/' ${output} + </command> + + <inputs> + <param format="mgf" name="input" type="data" label="Input MGF" /> + <param name="top" type="integer" label="Number of top peaks to keep" value="200" help="" /> + <param name="window" type="float" label="m/z Window" value="" optional="true" help="m/z Windows (+/-Z) around high-intensity peaks in which the number specified above are selected. (Optional)" /> + </inputs> + <outputs> + <data format="mgf" name="output" label="ms2preproc on ${on_string}"/> + </outputs> + + <requirements> + <requirement type="package">ms2preproc</requirement> + </requirements> + + <help> +**What it does** + +ms2preproc is a software tool to preprocess MS/MS spectra, please see the citation below for more information. + +**Inputs and Parameters** + +ms2preproc is very specific about the formatting of the MGF file it parses. Therefore it is recommended that the MGF Formatter tool is used to create a MGF file specifically for ms2preproc prior to the use of this tool. + +The authors of this software recommend running ms2preproc with the following settings: + + Mascot: + Select top 200 peaks globally. + + Sequest: + Select top 6 peaks in windows of size 30 m/z. + + ProteinPilot: + Select top 6 peaks in windows of size 30 m/z. + +------ + +**Citation** + +For the underlying tool, please cite `Renard BY, Kirchner M, Monigatti F, Invanov AR, Rappsilber J, Winter D, Steen JAJ, Hamprecht FA, Steen H. When Less Can Yield More - Computational Preprocessing of MS/MS Spectra for Peptide Identification, Proteomics (2009).` + +If you use this tool in Galaxy, please cite Chilton J, et al. https://bitbucket.org/galaxyp/galaxyp-toolshed-ms2preproc + </help> +</tool>