# HG changeset patch
# User galaxyp
# Date 1486435987 18000
# Node ID bce45e9e6d7004b61ff5ebb7f843195686095edd
# Parent ff592231f118435fd6adc05be4b1b1b10e58987b
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit cb53f8e01ae0cc4dc7621f03ba209d040ef30312
diff -r ff592231f118 -r bce45e9e6d70 macros.xml
--- a/macros.xml Wed Jan 25 15:37:43 2017 -0500
+++ b/macros.xml Mon Feb 06 21:53:07 2017 -0500
@@ -8,109 +8,159 @@
- -frag_tol "${fragment_tol}"
+ -frag_tol "${precursor_options.fragment_tol}"
### -frag_ppm
- -prec_tol "${precursor_ion_tol}"
- -prec_ppm "${precursor_ion_tol_units}"
- ### -digestion
- ### multiple enzymes?
- -enzyme "${enzyme}"
- ### -specificity
- ### value per enzyme
- -mc $missed_cleavages
- #set $fixed_mods_str = $fixed_modifications or ''
- #set $variable_mods_str = $variable_modifications or ''
+ -prec_tol "${precursor_options.precursor_ion_tol}"
+ -prec_ppm "${precursor_options.precursor_ion_tol_units}"
+
+ -min_charge $precursor_options.min_charge
+ -max_charge $precursor_options.max_charge
+ -fi $precursor_options.forward_ion
+ -ri $precursor_options.reverse_ion
+ -min_isotope ${precursor_options.min_isotope}
+ -max_isotope ${precursor_options.max_isotope}
+ #if $protein_digest_options.digestion.cleavage == 'default':
+ ## -enzyme "Trysin"
+ -mc $protein_digest_options.digestion.missed_cleavages
+ #elif $protein_digest_options.digestion.cleavage == '0' and len($protein_digest_options.digestion.digests) > 0:
+ #set $enzymes = []
+ #set $missed_cleavages = []
+ ## #set $specificities = []
+ #for $i, $digest in enumerate($protein_digest_options.digestion.digests):
+ #silent $enzymes.append(str($digest.enzyme))
+ #silent $missed_cleavages.append(str($digest.missed_cleavages))
+ ## #silent $specificities.append(str($digest.specificity))
+ #end for
+ -enzyme "#echo ','.join($enzymes)#"
+ -mc "#echo ','.join($missed_cleavages)#"
+ ## -specificity "#echo ','.join($specificities)#"
+ #else:
+ -digestion $protein_digest_options.digestion.cleavage
+ #end if
+
+ #set $fixed_mods_str = $protein_modification_options.fixed_modifications or ''
+ #set $variable_mods_str = $protein_modification_options.variable_modifications or ''
#if $fixed_mods_str
-fixed_mods "$fixed_mods_str"
#end if
#if $variable_mods_str
-variable_mods "$variable_mods_str"
#end if
- -min_charge $min_charge
- -max_charge $max_charge
- -fi $forward_ion
- -ri $reverse_ion
- -min_isotope ${min_isotope}
- -max_isotope ${max_isotope}
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diff -r ff592231f118 -r bce45e9e6d70 peptide_shaker.xml
--- a/peptide_shaker.xml Wed Jan 25 15:37:43 2017 -0500
+++ b/peptide_shaker.xml Mon Feb 06 21:53:07 2017 -0500
@@ -1,4 +1,4 @@
-
+
Perform protein identification using various search engines based on results from SearchGUI
@@ -6,7 +6,7 @@
macros.xml
- peptide-shaker
+ peptide-shaker
@@ -82,7 +82,7 @@
(peptide-shaker eu.isas.peptideshaker.cmd.MzidCLI
--exec_dir="\$cwd/${bin_dir}"
-in \$cwd/peptideshaker_output.zip
- -output_file output.mzid
+ -output_file \$cwd/output.mzid
#if $contact_options.contact_options_selector == "yes":
-contact_first_name "$contact_options.contact_first_name"
-contact_last_name "$contact_options.contact_last_name"
@@ -337,7 +337,7 @@
-
+