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
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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 /
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