| Cheminformatic tools from siliocs-it
http://www.silicos-it.com/ Repository-Maintainer: Björn Grüning Repository-Development: https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox |
| 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) |
| 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_bzlib_1_0 revision af4887e1f595 owned by iuc (prior install required) |
| Name | Version | Type | |
|---|---|---|---|
| numpy | 1.7.1 | package | |
| openbabel | 2.3.2 | package | |
| rdkit | 2012_12_1 | package | |
| silicos_it | 1.0.1 | package | |
| Name | Description | Version | Minimum Galaxy Version |
|---|---|---|---|
| and Optimization (Align-it) | 0.1 | any | |
| generation (Align-it) | 0.1 | any | |
| quantitative estimation (QED) | 0.1 | any | |
| against a database of molecules (Shape-it) | 0.1 | any | |
| extracts predefined scaffolds from molecules | 1.0.1 | any | |