Hi Martin, I have a script that does almost exactly what you want (I guess). See attachment.
Cheers, Thomas On Wed, Mar 23, 2011 at 11:19 PM, Martin Hediger <ma....@bluewin.ch> 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. -- Thomas Holder MPI for Developmental Biology Spemannstr. 35 D-72076 Tübingen
mutate.py
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