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
