CNS molecular replacement using NMR models

Yu Wai Chen ywc at mrc-lmb.cam.ac.uk
Mon Oct 25 09:30:32 EST 1999


Dear all,

I would like to try using a whole NMR ensamble as a search model in CNS
MR.

I should expect to meet a lot of problems with short atomic distances
when I try to generate molecular structure files from such an ensamble
(same atom identity with different segment ids for each model).  I have
been thinking of generating alternative conformations for all atoms with
the alternate.inp task file but just wnoder if there are better
alternatives around.  Can someone help me?
 
-- 
===================================================================
Yu Wai CHEN, Ph.D. ..................   email:ywc at mrc-lmb.cam.ac.uk
 Centre for Protein Engineering,             tel:+44-(0)1223-402148
 MRC Centre, Hills Rd, Cambridge CB2 2QH, UK fax:+44-(0)1223-402140
 WWW homepage: http://www.mrc-cpe.cam.ac.uk/~ywc



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