Does OBMol::Separate work for this? See the API at http://openbabel.org/api/2.3/classOpenBabel_1_1OBMol.shtml#a1e5c6955a32c0ec2317a8de12ab7ba5a
- Noel On 7 November 2012 13:53, Stefan Henrich <[email protected]> wrote: > Hi OpenBabel users, > > Is there an easy way to read a complex structure as a molecule using > openbabel (python-API) and to split it afterwards into different > molecules (e.g., protein, ligand, cofactor,...) to handle/write it as > different objects? Here, it would be helpful not loosing information > like residue names what happens if you just copy atoms to a new molecule > object. > Thank you for your help! > > Best, > Stefan > > > ------------------------------------------------------------------------------ > LogMeIn Central: Instant, anywhere, Remote PC access and management. > Stay in control, update software, and manage PCs from one command center > Diagnose problems and improve visibility into emerging IT issues > Automate, monitor and manage. Do more in less time with Central > http://p.sf.net/sfu/logmein12331_d2d > _______________________________________________ > OpenBabel-scripting mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/openbabel-scripting ------------------------------------------------------------------------------ LogMeIn Central: Instant, anywhere, Remote PC access and management. Stay in control, update software, and manage PCs from one command center Diagnose problems and improve visibility into emerging IT issues Automate, monitor and manage. Do more in less time with Central http://p.sf.net/sfu/logmein12331_d2d _______________________________________________ OpenBabel-scripting mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-scripting
