[Open Babel] Segmentation fault for generating Fingerprint hex data(FP3)
Dear all, When I typed "babel test.smi test.fpt -xh -xfFP3" on command line, it said "Segmentation fault". test.smi: CC(C)(CO)[NH2+][C@]12C[C@@H]3C[C@H](C1)C[C@@H](C3)C2 04126500 The openbabel version is 2.3.1 and the OS is CentOS 5.5. But when I tried
[Open Babel] OpenBabel API: chain selection
Hello. I have a question about a way to select a special chain in OBMolecule. In the API documentation I found the way to retrieve an atom, a bond, a residue but nothing about chains. -- Андрей Гончар -- Live Security