# HG changeset patch # User jjohnson # Date 1504031436 14400 # Node ID 9cbe178a3e3c28618a8849914b16816418248987 Uploaded diff -r 000000000000 -r 9cbe178a3e3c msfragger.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/msfragger.xml Tue Aug 29 14:30:36 2017 -0400 @@ -0,0 +1,588 @@ + + search for peptide identifications in mass spectrometry proteomics + + '$param_file' +## +&& echo " " >> '$param_file' +&& echo "num_threads = \$GALAXY_SLOTS" >> '$param_file' +&& cat $param_file > '$output_params' +&& cat /Users/jj/gxt/gxt/database/files/009/dataset_9448.dat > Uniprot.20151009.Hs.revDecoys.fa +#if $input.extension == 'mzml': +#set $file_ext = 'mzML' +#elif $input.extension == 'mzxml': +#set $file_ext = 'mzXML' +#elif $input.extension == 'mgf': +#set $file_ext = 'mgf' +#end if +#if $input_prefix and len($input_prefix.strip()) > 0: +#set $input_path = $input_prefix.__str__ + "_rep" + str($i + 1) + "." + $file_ext +#else: +#set $input_path = $re.sub('\.[mM]\w+$','',$re.sub('[^-a-zA-Z0-9_.]','_',$input.name)) + "." + $file_ext +#end if +&& ln -s '${input}' '$input_path' +&& java -Xmx8G -jar $__tool_directory__/MSFragger.jar fragger.params '$input_path' +## && cat *.log +>> "$logfile" +#if $output_format == 'pepXML': +&& cat *.pep.xml > $output_pepxml +#else +&& cat *.tsv > $output_tsv +#end if +]]> + + + + + + + + + + [a-zA-Z][a-zA-Z0-9_-]* + + +
+ + + + + + + + + + + + + + + + + + + + +Isotope correction for MS/MS events triggered on isotopic peaks. Should be set to 0 (disabled) for open search or 0/1/2 for correction of narrow window searches. Shifts the precursor mass window to multiples of this value multiplied by the mass of C13-C12. + + + + +
+ +
+ + + + + + + + + + + + + + + +
+ +
+ + + + ^(?ms)(([+-]?\d+[.]\d+\s\S+)(\s+[+-]?\d+[.]\d+\s\S+)*)?$ + + + + + + +
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+ + +
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+
+ + + Track top N unmodified peptide results separately from main results internally for boosting features. + Should be set to a number greater than output_report_topN if zero bin boosting is desired. + Default: 0 + + + + + + + Useful for recovery of modified peptides near C-terminal in open search. + Should be set to 0 (disabled) otherwise. + Default: 0 + + + +
+
+ + + + +
+ + + + +
+ + + + + + output_format == 'tsv' + + + output_format == 'pepXML' + + + + + + + + + +