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README

SpiderMass is a collection of tools for the efficient identification of metabolites. The project started as re-implementation of the Seven Golden Rules Software (7GR, Kind & Fiehn http://fiehnlab.ucdavis.edu/projects/Seven_Golden_Rules/), but several functions were added. Our database creator converts plain text lists with compound names etc. to project-specific chemical databases.

NEWS version 1.1

  • The formula generator was updated and now also builds mixed formula, consisting of natural and stable isotope atoms (e.g. containing H/D).
  • New Windows Installer. Tested on Windows 10, 64 bit.

Windows Users ATTENTION ##

On Windws, the SpiderMass default directory is 'USER/App/Roaming'. This is where you also should place a file named 'chemspider-token.txt' with your RSC chemspider token (free for Academics from http://www.chemspider.com/) and where you find your results.

Requirements

  • Python 3
  • OSA library
  • Chemspider token
  • It might be necessary to re-compile the C/C++ programs on your platform

Contribution guidelines

Comments are welcome at any time!

Who do I talk to?

robert.winkler@bioprocess.org; robert.winkler@cinvestav.mx