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Re: [ccp4bb]: refine occupancies with Refmac
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On Tue, 08 Feb 2000 Joerg Mueller wrote:
>
>Dear all,
>
>is it possible to refine occupancies for alternate conformations using
>REFMAC and how does it work?
>Or is there an other CCP4 program which can do this?
>
>Thanks for help
>Joerg
Hi,
Well, the following is one of the OLD BB message (dated Sep
14th 1998), which may answer your question (full message is at:
http://www.cryst.bbk.ac.uk/~ubcg09j/ccp4arc/bb1998/msg00776.html)
--------------------------------------------------------------------
> At this stage REFMAC can not refine occupancy. It is related with
>the fact that if you have double (multiple) conformation of same
>residue you should refine only one occupancy for all of them. Now
>I am working on this. I hope in nearest future it will be available.
>
>
>Regards
>Garib
>
>P.S. At this stage you can do manual occupancy refinemnt. I.e. put
>occupancy and refine and look B-values. Not best way I agree.
>------------------------------------------------------------------
>Garib N. Murshudov, Chemistry Department, University of York, U.K.
>Tel: Home +44 (1904) 43 35 89, work: +44 (1904) 43 25 65
>------------------------------------------------------------------
Cheers,
Ravi.
PS:- So, lets ask Garib now?