On Thursday 08 March 2007 16:33, Manfred S. Weiss wrote: > before I start with some scripting myself, does anybody have a > utility, which takes a PDB and the cell and space group information > and then writes out the original PDB together with all molecules > contacting the first one in the crystal?
I have a small PyMOL script (attached) which is a bit finicky about its input, but has worked well for me. The idea is to load or create an object called "protein" in PyMOL and invoke the script with "run SymGen.py" to generate all symmetry mates and save all those with atoms within a certain cutoff from the base object. -- Lieven Buts Ultrastructure Laboratory Vrije Universiteit Brussel
GenSym.py
Description: application/python
