Re: [PyMOL] Logging the sculpt wizard

2011-03-24 Thread Thomas Holder
there was a bug in the script, sorry. Corrected script attached. Cheers, Thomas On Thu, Mar 24, 2011 at 8:40 AM, Thomas Holder wrote: > Hi Martin, > > I have a script that does almost exactly what you want (I guess). See > attachment. > > Cheers, >  Thomas -- Thomas Holder MPI for Developmen

Re: [PyMOL] Logging the sculpt wizard

2011-03-24 Thread Thomas Holder
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 wrote: > Dear List > I'm trying to automate the following sequence of steps in a PyMOL python > script: > 1. Start the mutagenesis wiza

Re: [PyMOL] Logging the sculpt wizard

2011-03-23 Thread Jed Goldstone
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. Muta

[PyMOL] Logging the sculpt wizard

2011-03-23 Thread Martin Hediger
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 co