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Repository vkmz
Name: vkmz
Owner: eslerm
Synopsis: metabolomics formula prediction and van Krevelen diagram generation
Development repository: https://github.com/HegemanLab/VKMZ
Clone this repository: hg clone https://toolshed.g2.bx.psu.edu/repos/eslerm/vkmz
Type: unrestricted
Revision: 12:7ad1fe7c01e7
This revision can be installed: True
Times cloned / installed: 56

Repository README files - may contain important installation or license information

vkmz v1.4dev1

vkmz predicts molecular formulas by searching a known mass-formula dictionary for a feature observed by a mass spectrometer. Elemental ratios for predicted-features are calculated to create the carbon-to-oxygen and carbon-to-hydrogen axis of a van Krevelen Diagram (VKD). VKD's are a convenient visualization tool for briefly conveying the constituents of a complex MS mixture (e.g., untargeted plant metabolomics). As output predicted-feature are saved to a tabular file, an interactive VKD web page, and other optional formats.

Contents of this repository

Name Description Version Minimum Galaxy Version
Metabolomics formula prediction and van Krevelen diagram generation 1.4dev2 16.01

Categories
Metabolomics - Tools for use in the study of Metabolomics