Man pages for 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
ChemmineOB documentation built on April 13, 2021, 6:03 p.m.