[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.
-------------------------------------------------------
AMIT DAS, Ph.D.
PRESENT ----
BUILDING 8600, MS-6460
BIOLOGY AND SOFT MATTER DIVISION
P O BOX 2008
OAK RIDGE NATIONAL LABORATORY
1 BETHEL VALLEY ROAD
OAK RIDGE, TN 37831-6460
U.S.A.
PROTEIN CRYSTALLOGRAPHY
SOLID STATE PHYSICS DIVISION
BARC, TROMBAY, MUMBAI-400085.
INDIA.
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