This would be a useful API function. If it's a disconnected portion of the molecule, and you wanted to write a smiles, there is a fragment option for the smiles writer that you could use.
- Noel On 17 June 2017 at 21:44, Maciek Wójcikowski <mac...@wojcikowski.pl> wrote: > Hi all, > > Quick question: I have OBMol and want to create a sub-molecule from a subset > of atoms given by atom/bond indices. Is there a clever way to do it in > OpenBabel? I'm aware that I can make a copy and prune the unwanted atoms ;) > > ---- > Pozdrawiam, | Best regards, > Maciek Wójcikowski > mac...@wojcikowski.pl > > ------------------------------------------------------------------------------ > Check out the vibrant tech community on one of the world's most > engaging tech sites, Slashdot.org! http://sdm.link/slashdot > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
