Hi, I'm looking at a PDB file which, due to symmetry, only provides me with part of the unit cell (in this case I'm looking at 1HHP, which is a dimer but only gives coordinates for the monomer, but I've run across the problem before). I'd like to see the full unit cell. I understand that I can use symexp to create symmetry related objects within a certain distance, but I'd like to be able to say "give me the unit cell."
I noticed that the online manual (http://pymol.sourceforge.net/html/S0400xtal.html#10) says "Currently that information can only be provided to PyMOL as a CRYST1 record in the PDB file, which includes the correct space group identifier. However, it would be only a minor development task to add a means of assigning unit-cell and symmetry to any molecule object directly from the API." So, two questions: 1) Can PyMOL already do what I want? 2) If not, and if it's "only a minor development task," could someone give me some pointers for how to do it so that I can code it up myself? thanks, -michael -- This isn't a democracy;| _ |Michael Lerner it's a cheer-ocracy. | ASCII ribbon campaign ( ) | Michigan -Torrence, Bring It On| - against HTML email X | Biophysics | / \ | mler...@umich
