I'm trying to make a script that will take a MTZ file (reflections), convert it into a CCP4 map, then pare that map down to only encompass a desired area to cut down on the size of my PyMol session files so they're email-able (a.k.a. not 200 MB) and ease the burden on my POS computer.
I currently have a Python script that can fft
(CCP4) to create the map and mapmask
to fix unit cell tiling issues. What I want to add now is something that can take a PDB file and strip out most of it except, for example, residues within 10 Å of #123.
I've been looking at ProDy, but not quite sure where to start. I would also be open to using something in the CCP4 toolkit.
mapmask
seems to expand a little anyway), but doesn't seem that optimal. I'll beat on this for a while and let you know what I come up with. $\endgroup$ – Nick T Mar 25 '12 at 0:37