that could be enough for our purposes could you tell me which function?
On 23 Mar , 2012, at 6:11 PM, Noel O'Boyle wrote: > I think so, but you would have to write some code to do it. The > library has a function to find rotatable bonds. > > - Noel > > 2012/3/22 Horacio Pérez-Sánchez <hora...@um.es>: >> Good morning, >> >> I wonder whether openbabel tools can be used for, given a database with >> thousands of ligands, analyzing each ligand and reporting which fragments >> are rigid and which parts or connetors can be modelled as flexible. >> >> Thanks in advance, ------------------------------------------------------------------------------ This SF email is sponsosred by: Try Windows Azure free for 90 days Click Here http://p.sf.net/sfu/sfd2d-msazure _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
