Man pages for girke-lab/ChemmineOB
R interface to a subset of OpenBabel functionalities

canonicalNumbering_OBCanonical Numbering OB
convertFormatConvert Formats
convertFormatFileConvert Format of Files
convertToImageConvert To Image
exactMass_OBExact Mass (Monoisotopic Mass)
fingerprint_OBFingerprints from OpenBabel
forEachMolFor Each Mol
OB-classesClasses from OB
prop_OBProperties from OpenBabel
smartsSearch_OBSMARTS Search
girke-lab/ChemmineOB documentation built on Oct. 25, 2018, 11:11 a.m.