Hi Maciek, Maciek Wójcikowski pisze: > Hi Filip, > > OBMol has a Separate method, which does exactly what you'd > like. > http://openbabel.org/dev-api/classOpenBabel_1_1OBMol.shtml#a1e5c6955a32c0ec2317a8de12ab7ba5a > > import pybel > mol = pybel.readfile('mol2', 'ligand.mol2').next() > for m in mol.OBMol.Separate(): > print m > > > Note that m is an OBMol object, so to get pybel molecule you need to > initiate it via Molecule class: > > for m in mol.OBMol.Separate(): > print pybel.Molecule(m)
Thanks for that tip. I will try it. best regards, Filip -- Filip Stefaniak Uptime: 13079 dni 19 godzin W lodówce ma 10.8stC, na działce w sadku 16.7stC ------------------------------------------------------------------------------ _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
