Dear PyMOL Users I use the following script to prepare small side chain fragment PDB files of mutants in PyMOL: http://pastebin.com/nDTZApHP I use the PyMOL built-in mutagenesis wizard and the sculpting wizard to locally optimize the side chains within the environment of the protein. For large amounts of side chains, the script currently mutates every side chain within a selection to every other amino acid, this starts to take a long amoutn of time. Is it possible to parallelize the mutagenesis process? I'm not an expert on how to do this, maybe somebody could point me out on something. Where in the code would one do that? I know the threading module can be used, but I'm still working on that.
Any feedback is appreciated. Martin ------------------------------------------------------------------------------ Don't let slow site performance ruin your business. Deploy New Relic APM Deploy New Relic app performance management and know exactly what is happening inside your Ruby, Python, PHP, Java, and .NET app Try New Relic at no cost today and get our sweet Data Nerd shirt too! http://p.sf.net/sfu/newrelic-dev2dev _______________________________________________ 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
