Henning, Thank you for the suggestion. It is well-formed requests like yours which help shape the future structure and capabilities of PyMOL. At present, however, these activities are not currently scriptable in the sense that they lack a defined & supported "API".
Nevertheless, the Mutagenesis wizard in modules/pymol/wizard/mutagenesis.py is capable of accomplishing such tasks, so it may be possible for you to adapt that Python code to your own use (albeit, in an unsupported way). Cheers, Warren > -----Original Message----- > From: Henning Stehr [mailto:st...@molgen.mpg.de] > Sent: Monday, February 09, 2009 5:02 AM > To: pymol-users@lists.sourceforge.net > Subject: [PyMOL] Scripting/Mutagenesis > > Dear users and developers, > > one of the many amazing features in Pymol is the mutagenesis wizard. > How can I use the same functionality from a script? I.e. > > 1. Mutating a residue given the residue number and target type > 2. Setting rotamers > 3. Ideally: Querying the rotamer probabilities and detect clashes > > Thanks, > Henning > > ---------------------------------------------------------- > Henning Stehr (Dipl. Ing.) > Structural Proteomics Group > Max-Planck-Institute for Molecular Genetics > www.molgen.mpg.de > www.pdbwiki.org > ---------------------------------------------------------- > > ------------------------------------------------------------------------ -- > ---- > Create and Deploy Rich Internet Apps outside the browser with > Adobe(R)AIR(TM) > software. With Adobe AIR, Ajax developers can use existing skills and code > to > build responsive, highly engaging applications that combine the power of > local > resources and data with the reach of the web. Download the Adobe AIR SDK > and > Ajax docs to start building applications today-http://p.sf.net/sfu/adobe- > com > _______________________________________________ > PyMOL-users mailing list > PyMOL-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/pymol-users > >
