Reply-To: | | [log in to unmask][log in to unmask], 8 Mar 2007 16:34:05 +0000361_ISO-8859-1 Well - you kind of need to be selective I find. Here is a totally unautomated procedure!
I run DISTANG (DIST INTER RADI CA 3) or NCONT to find all the sym ops which give contacts between molecules, then use PDBSET to generate those sym ops I like pdbset xyzin 1.pdb xyzout Si.pdb symgen 2-x,y-1/2,-z CHAIN A B or C or D [...]41_8Mar200716:34:[log in to unmask] |