You might want to try using Modeller instead. http://www.salilab.org/modeller/wiki/Mutate%20model It does higher level modelling.
Jed Martin Hediger wrote: > Dear List > I'm trying to automate the following sequence of steps in a PyMOL python > script: > 1. Start the mutagenesis wizard > 2. Mutate a reside according to an input from the script (some integer > to specify the id) > 3. "Apply" and close the mutagenesis wizard > 4. Start the Sculpt Wizard > 5. Fix all coordinates but the residue just mutated > 6. Start the sculpt algorithm to get a rough optimization of the side chain > 7. End the sculpt algorithm and close the sculpt wizard. > 8. Save the structure to a new file. > > I have the steps up to 3. ready in a script for generation of variants. > However, when running a log file while performing steps 4. onwards, > there are no commands written into the log file for the sculpting > functions. Pressing the "Sculpt" button in the PyMOLX11Hybrid does not > lead to a command I can see in the log file. > What would be the Python code to start the sculpt process? > > Any hints are welcome. > > Thanks a lot. > > > > ------------------------------------------------------------------------------ > Enable your software for Intel(R) Active Management Technology to meet the > growing manageability and security demands of your customers. Businesses > are taking advantage of Intel(R) vPro (TM) technology - will your software > be a part of the solution? Download the Intel(R) Manageability Checker > today! http://p.sf.net/sfu/intel-dev2devmar > _______________________________________________ > PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) > Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users > Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net > > ------------------------------------------------------------------------------ Enable your software for Intel(R) Active Management Technology to meet the growing manageability and security demands of your customers. Businesses are taking advantage of Intel(R) vPro (TM) technology - will your software be a part of the solution? Download the Intel(R) Manageability Checker today! http://p.sf.net/sfu/intel-dev2devmar _______________________________________________ PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net) Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
