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planemo upload for repository https://github.com/HegemanLab/VKMZ commit 22bcd10f6e27cbaa670e55a79ffbfb4f6371689e
author eslerm
date Fri, 21 Dec 2018 01:45:56 -0500
parents 797bbf003bd4
children
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11:797bbf003bd4 12:7ad1fe7c01e7
1 <tool id="vkmz" name="vkmz" version="1.4dev1"> 1 <tool id="vkmz" name="vkmz" version="1.4dev2">
2 2
3 <description>Metabolomics formula prediction and van Krevelen diagram generation</description> 3 <description>Metabolomics formula prediction and van Krevelen diagram generation</description>
4 4
5 <requirements> 5 <requirements>
6 <requirement type="package" version="3.6">python</requirement> 6 <requirement type="package" version="3.6">python</requirement>
7 <requirement type="package" version="v1.4dev1">vkmz</requirement> 7 <requirement type="package" version="1.4dev2">vkmz</requirement>
8 </requirements> 8 </requirements>
9 9
10 <stdio> 10 <stdio>
11 <exit_code range="1:" level="fatal" /> 11 <exit_code range="1:" level="fatal" />
12 </stdio> 12 </stdio>
110 </test> 110 </test>
111 </tests> 111 </tests>
112 112
113 <help><![CDATA[ 113 <help><![CDATA[
114 ============ 114 ============
115 VKMZ 1.4dev1 115 VKMZ 1.4dev2
116 ============ 116 ============
117 117
118 VKMZ is a metabolomics prediction and vizualization tool which creates van Krevelen diagrams from mass spectrometry data. A van Krevelen diagram (VKD) plots a molecule on a scatterplot by the molecules oxygen to carbon ratio (O:C) against it's hydrogen to carbon ratio (H:C). Classes of metabolites cluster together on a VKD [0]. Plotting a complex mixture of metabolites on a VKD briefly conveys untargeted metabolomics data. 118 VKMZ is a metabolomics prediction and vizualization tool which creates van Krevelen diagrams from mass spectrometry data. A van Krevelen diagram (VKD) plots a molecule on a scatterplot by the molecules oxygen to carbon ratio (O:C) against it's hydrogen to carbon ratio (H:C). Classes of metabolites cluster together on a VKD [0]. Plotting a complex mixture of metabolites on a VKD briefly conveys untargeted metabolomics data.
119 119
120 ============= 120 =============