Repository chemicaltoolbox
Name: chemicaltoolbox
Owner: bgruening
Synopsis: ChemicalToolBox Metapackage
That metapackage will install several cheminformatic tool wrappers (e.g. chemfp, openbabel, osra, confab, rdkit)

Repository-Maintainer: Björn Grüning
Repository-Development: https://github.com/bgruening/galaxytools/
Link to this repository: https://toolshed.g2.bx.psu.edu/view/bgruening/chemicaltoolbox/c799c6211cbd
Clone this repository: hg clone https://toolshed.g2.bx.psu.edu/repos/bgruening/chemicaltoolbox
Type: repository_suite_definition
Revision: 6:c799c6211cbd
This revision can be installed: True
Times cloned / installed: 664
Dependencies of this repository

Repository dependencies - This is a metapackage, that will install several other tools.
Repository molecule_datatypes revision 85eca06eefc6 owned by iuc
Repository package_openbabel_2_3 revision ae369c08a2a7 owned by iuc
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 molecule_datatypes revision 85eca06eefc6 owned by iuc
Repository package_openbabel_2_3 revision ae369c08a2a7 owned by iuc
Repository package_numpy_1_7 revision 300877695495 owned by iuc (prior install required)
Repository molecule_datatypes revision 85eca06eefc6 owned by iuc
Repository package_openbabel_2_3 revision ae369c08a2a7 owned by iuc (prior install required)
Repository package_graphicsmagick_1_3 revision ef238a8bdc1d owned by iuc (prior install required)
Repository molecule_datatypes revision 85eca06eefc6 owned by iuc
Repository package_rdkit_2012_12 revision 842dd2fa4ace owned by iuc (prior install required)
Repository package_numpy_1_7 revision 300877695495 owned by iuc (prior install required)
Repository package_matplotlib_1_2 revision 48020985e28c owned by iuc (prior install required)
Repository package_chemfp_1_1 revision cb2b38ca9d96 owned by iuc (prior install required)
Repository package_scipy_0_12 revision cfbbe183f8a7 owned by iuc (prior install required)
Repository package_openbabel_2_3 revision ae369c08a2a7 owned by iuc (prior install required)
Repository molecule_datatypes revision 85eca06eefc6 owned by iuc
Repository package_eigen_2_0 revision a270fba04f3a owned by iuc (prior install required)
Repository package_openbabel_2_3 revision ae369c08a2a7 owned by iuc
Repository package_chemfp_1_1 revision cb2b38ca9d96 owned by iuc
Repository molecule_datatypes revision 85eca06eefc6 owned by iuc
Repository package_numpy_1_7 revision 300877695495 owned by iuc (prior install required)
Repository package_openbabel_2_3 revision ae369c08a2a7 owned by iuc (prior install required)
Repository package_rdkit_2012_12 revision 842dd2fa4ace owned by iuc (prior install required)
Repository molecule_datatypes revision 85eca06eefc6 owned by iuc
Repository molecule_datatypes revision 85eca06eefc6 owned by iuc
Repository package_rdkit_2012_12 revision 842dd2fa4ace owned by iuc (prior install required)
Repository package_numpy_1_7 revision 300877695495 owned by iuc (prior install required)
Repository package_matplotlib_1_2 revision 48020985e28c owned by iuc (prior install required)
Repository package_scipy_0_12 revision cfbbe183f8a7 owned by iuc (prior install required)
Repository package_scikit_learn_0_13 revision 4229f8f239b3 owned by iuc (prior install required)
Repository package_atlas_3_10 revision 98c017ec230d owned by iuc (prior install required)
Repository molecule_datatypes revision 85eca06eefc6 owned by iuc
Repository package_numpy_1_7 revision 300877695495 owned by iuc (prior install required)
Repository package_boost_1_55 revision 9cc5f2bc9a9c owned by iuc (prior install required)
Repository package_numpy_1_7 revision 300877695495 owned by iuc (prior install required)
Repository package_freetype_2_4 revision b32452aa80dc owned by iuc (prior install required)
Repository package_libpng_1_6_7 revision 588666932a32 owned by iuc (prior install required)
Repository package_tiff_4_0_3 revision 1e6bcf7a8a03 owned by iuc (prior install required)
Repository package_zlib_1_2_8 revision 411985b46ae8 owned by iuc (prior install required)
Repository package_imaging_1_1_7 revision d5f2627f4cfd owned by iuc (prior install required)
Repository package_atlas_3_10 revision 98c017ec230d owned by iuc (prior install required)
Repository package_numpy_1_7 revision 300877695495 owned by iuc (prior install required)
Repository package_cmake_3_2_3 revision 1aea698a1c63 owned by iuc (prior install required)
Repository package_numpy_1_7 revision 300877695495 owned by iuc (prior install required)
Repository package_scipy_0_12 revision cfbbe183f8a7 owned by iuc (prior install required)
Repository package_matplotlib_1_2 revision 48020985e28c owned by iuc (prior install required)
Repository package_bzlib_1_0 revision af4887e1f595 owned by iuc (prior install required)
Repository package_zlib_1_2_8 revision 411985b46ae8 owned by iuc (prior install required)
Repository package_tiff_4_0_3 revision 1e6bcf7a8a03 owned by iuc (prior install required)
Repository package_freetype_2_4 revision b32452aa80dc owned by iuc (prior install required)
Repository package_zlib_1_2_8 revision 411985b46ae8 owned by iuc (prior install required)

Categories
Computational chemistry - Tools for use in computational chemistry