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Repository openbabel
Name: openbabel
Owner: bgruening
Synopsis: Open Babel tools
Open Babel is a chemical toolbox designed to speak the many languages of chemical data. It's an open, collaborative project allowing anyone to search, convert, analyze, or store data from molecular modeling, chemistry, solid-state materials, biochemistry, or related areas. 

Repository-Maintainer: Björn Grüning
Repository-Development: https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox
Type: unrestricted
Revision: 2:125da3a296ca
This revision can be installed: True
Times cloned / installed: 537
Dependencies of this repository

Repository package_openbabel_2_3 revision ae369c08a2a7 owned by iuc
Repository package_eigen_3_1 revision baedf7f82cc3 owned by iuc (prior install required)
Repository package_cmake_3_2_3 revision 1aea698a1c63 owned by iuc (prior install required)
Repository package_atlas_3_10 revision 98c017ec230d owned by iuc (prior install required)

Name Version Type
cheminfolib 0.1 package
numpy 1.7.1 package
openbabel 2.3.2 package

Contents of this repository

Name Description Version Minimum Galaxy Version
of fingerprint data sets 0.1 any
1.0 any
1.0 any
an advanced molecular grep program using SMARTS 0.1 any
1.0 any
a set of molecules from a file 1.0 any
an advanced molecular grep program using SMARTS 0.1 any
Converts various chemistry and molecular modeling data files 0.1 any
similarity search based on 1D chemical features 1.0 any
of compounds 1.0.0 any
at a certain pH value 1.0 any
to meta-data value. 0.0.1 any
of every atom 0.1 any
for a set of molecules 1.0 any

Categories
Computational chemistry - Tools for use in computational chemistry