[phenixbb] Refine three alternate conformations of residues and two loop confirmations.

AMIT amitd453 at gmail.com
Mon Oct 13 09:07:21 PDT 2014


Hi All,
         I am unable to refine three alternate conformations of a residue
provided in PDB file prefixed before resname as A,B and C in Phenix
dev-1370. When I make it two alternate conformations it runs OK.

Also I am not able to refine two loop confirmations, the refinement somehow
puts both in the major 2Fo-Fc map peak and makes the almost same, even
though the starting loop has different trace.Turning off siulated annealing
or making temp. lower or just doing 1 cycle is not doing any good.

Any suggestions will be helpful.

Thanks,
Amit.


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AMIT DAS, Ph.D.

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