(ccing to openbabel-discuss) The current version of pybel.py has an extra keyword for specifying options. Try help(pybel.Molecule.write) for more info.
- Noel On 15 April 2015 at 19:28, Juan Pablo Arcón <juanar...@gmail.com> wrote: > Dear Noel, > > I have a question on pybel usage and don't know which forum to post. I want > to convert a pdb file to pdbqt, without the torsion tree. I can do this on > terminal with obabel using the -xr option, but cannot put it inside the > .write as a format option. I use > > molecule.write(format="pdbqt",filename=pdbqtout,overwrite=True) > > How can I add this format specific option? > > Thank you very much! Regards. > > Juan./ ------------------------------------------------------------------------------ BPM Camp - Free Virtual Workshop May 6th at 10am PDT/1PM EDT Develop your own process in accordance with the BPMN 2 standard Learn Process modeling best practices with Bonita BPM through live exercises http://www.bonitasoft.com/be-part-of-it/events/bpm-camp-virtual- event?utm_ source=Sourceforge_BPM_Camp_5_6_15&utm_medium=email&utm_campaign=VA_SF _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
