On Fri, 2010-02-26 at 16:50 +0100, Gerard DVD Kleywegt wrote: > But it still won't solve Miri's problem. I think what she is asking > for is a > program that detects which atoms should be matched to which, > irrespective of > their names (i.e., not assuming they are called " CA ") and order > (i.e., not > nicely sequential such as amino-acid residues), and then applies the > operator > that follows from that. > >
How about FM option in molrep? http://www.msg.ucsf.edu/local/programs/ccp4-6.0.2/html/molrep.html#FM Other MR programs can be used as well, just generate FC from one model in a suitable cell and run search with another. HTH, Ed. -- Edwin Pozharski, PhD, Assistant Professor University of Maryland, Baltimore ---------------------------------------------- When the Way is forgotten duty and justice appear; Then knowledge and wisdom are born along with hypocrisy. When harmonious relationships dissolve then respect and devotion arise; When a nation falls to chaos then loyalty and patriotism are born. ------------------------------ / Lao Tse /
