Mercurial > repos > galaxyp > hardklor

changeset 3:a979b9ff3272 draft

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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tools/hardklor commit b4871f9659a924a68430aed3a93f4f9bad733fd6
author galaxyp
date Wed, 07 Dec 2016 16:36:36 -0500
parents 1c9bca15e214
children 539f157784e7
files hardklor.xml kronik.xml test-data/kronik_result.kr tool_dependencies.xml
diffstat 4 files changed, 17 insertions(+), 26 deletions(-) [+]
line wrap: on
line diff
--- a/hardklor.xml	Tue Jun 14 11:16:42 2016 -0400
+++ b/hardklor.xml	Wed Dec 07 16:36:36 2016 -0500
@@ -1,7 +1,7 @@
-<tool id="hardklor" name="Hardklor" version="2.30">
+<tool id="hardklor" name="Hardklor" version="2.30.1">
     <description>identification of features from mass spectra</description>
     <requirements>
-        <requirement type="package" version="2.30">hardklor</requirement>
+        <requirement type="package" version="2.3.0">hardklor</requirement>
     </requirements>
     <stdio>
         <exit_code range="1:" level="fatal"/>
--- a/kronik.xml	Tue Jun 14 11:16:42 2016 -0400
+++ b/kronik.xml	Wed Dec 07 16:36:36 2016 -0500
@@ -1,7 +1,7 @@
-<tool id="kronik" name="Kronik" version="2.02">
+<tool id="kronik" name="Kronik" version="2.20">
     <description>processes Hardklor features to find peptides by chromatographic profiling</description>
     <requirements>
-        <requirement type="package" version="2.02">kronik</requirement>
+        <requirement type="package" version="2.20">kronik</requirement>
     </requirements>
     <stdio>
         <exit_code range="1:" level="fatal" description="Error occurred while running Kronik"/>
--- a/test-data/kronik_result.kr	Tue Jun 14 11:16:42 2016 -0400
+++ b/test-data/kronik_result.kr	Wed Dec 07 16:36:36 2016 -0500
@@ -1,14 +1,14 @@
 First Scan	Last Scan	Num of Scans	Charge	Monoisotopic Mass	Base Isotope Peak	Best Intensity	Summed Intensity	First RTime	Last RTime	Best RTime	Best Correlation	Modifications
-101	105	4	1	647.000900	648.008200	230778.000000	860284.000000	0.385700	0.404500	0.385700	0.974300	_
-101	105	4	1	609.178100	610.185400	197593.000000	712620.000000	0.385700	0.404500	0.404500	0.993100	_
-101	105	4	1	667.994300	669.001700	183122.000000	651082.000000	0.385700	0.404500	0.385700	0.952000	_
-101	105	4	1	683.197000	684.204300	177728.000000	628119.000000	0.385700	0.404500	0.391700	0.951200	_
-101	105	4	3	1109.920500	370.980800	148068.000000	487925.000000	0.385700	0.404500	0.385700	1.000000	_
-102	105	3	1	758.217100	759.224400	118842.000000	323534.000000	0.391700	0.404500	0.404500	0.960500	_
-101	105	4	1	685.195600	686.202900	89336.000000	289027.343750	0.385700	0.404500	0.404500	0.975400	_
-101	105	4	1	611.176300	612.183600	72749.000000	270190.000000	0.385700	0.404500	0.398500	0.999700	_
-101	105	4	1	619.878700	620.886000	72031.000000	218751.671875	0.385700	0.404500	0.404500	0.972600	_
-101	105	4	2	1390.722200	696.368400	69113.000000	236599.328125	0.385700	0.404500	0.398500	0.999700	_
-101	105	4	1	892.222800	893.230100	55772.000000	185033.000000	0.385700	0.404500	0.404500	0.956600	_
-101	104	3	1	820.199600	821.206900	39983.000000	101690.000000	0.385700	0.398500	0.385700	0.991900	_
-101	105	4	1	894.221400	895.228700	36689.000000	130505.000000	0.385700	0.404500	0.391700	0.980700	_
+101	105	4	1	647.000900	648.008200	230778.000000	860284.000000	0.385700	0.404500	0.385700	0.9743	_
+101	105	4	1	609.178100	610.185400	197593.000000	712620.000000	0.385700	0.404500	0.404500	0.9931	_
+101	105	4	1	667.994300	669.001700	183122.000000	651082.000000	0.385700	0.404500	0.385700	0.9520	_
+101	105	4	1	683.197000	684.204300	177728.000000	628119.000000	0.385700	0.404500	0.391700	0.9512	_
+101	105	4	3	1109.920500	370.980800	148068.000000	487925.000000	0.385700	0.404500	0.385700	1.0000	_
+102	105	3	1	758.217100	759.224400	118842.000000	323534.000000	0.391700	0.404500	0.404500	0.9605	_
+101	105	4	1	685.195600	686.202900	89336.000000	289027.343750	0.385700	0.404500	0.404500	0.9754	_
+101	105	4	1	611.176300	612.183600	72749.000000	270190.000000	0.385700	0.404500	0.398500	0.9997	_
+101	105	4	1	619.878700	620.886000	72031.000000	218751.671875	0.385700	0.404500	0.404500	0.9726	_
+101	105	4	2	1390.722200	696.368400	69113.000000	236599.328125	0.385700	0.404500	0.398500	0.9997	_
+101	105	4	1	892.222800	893.230100	55772.000000	185033.000000	0.385700	0.404500	0.404500	0.9566	_
+101	104	3	1	820.199600	821.206900	39983.000000	101690.000000	0.385700	0.398500	0.385700	0.9919	_
+101	105	4	1	894.221400	895.228700	36689.000000	130505.000000	0.385700	0.404500	0.391700	0.9807	_
--- a/tool_dependencies.xml	Tue Jun 14 11:16:42 2016 -0400
+++ /dev/null	Thu Jan 01 00:00:00 1970 +0000
@@ -1,9 +0,0 @@
-<?xml version="1.0"?>
-<tool_dependency>
-    <package name="hardklor" version="2.30">
-        <repository changeset_revision="e25ed64d962b" name="package_hardklor_2_30" owner="galaxyp" toolshed="https://toolshed.g2.bx.psu.edu" />
-    </package>
-    <package name="kronik" version="2.02">
-        <repository changeset_revision="797b81fd9054" name="package_kronik_2_02" owner="galaxyp" toolshed="https://toolshed.g2.bx.psu.edu" />
-    </package>
-</tool_dependency>