Man pages for girke-lab/ChemmineOB-release
R interface to a subset of OpenBabel functionalities
| convertFormat | Convert Formats |
| convertFormatFile | Convert Format of Files |
| fingerprint_OB | Fingerprints from OpenBabel |
| forEachMol | For Each Mol |
| OB-classes | Classes from OB |
| prop_OB | Properties from OpenBabel |
| smartsSearch_OB | SMARTS Search |
