Man pages for girke-lab/ChemmineOB
R interface to a subset of OpenBabel functionalities
| canonicalNumbering_OB | Canonical Numbering OB |
| convertFormat | Convert Formats |
| convertFormatFile | Convert Format of Files |
| convertToImage | Convert To Image |
| exactMass_OB | Exact Mass (Monoisotopic Mass) |
| fingerprint_OB | Fingerprints from OpenBabel |
| forEachMol | For Each Mol |
| OB-classes | Classes from OB |
| prop_OB | Properties from OpenBabel |
| smartsSearch_OB | SMARTS Search |
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