[ccp4bb]: Nonx restraints on split residues (Refmac5)

["Frank Vondelft" <Frank.Vondelft@syrrx.com>]

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Hiyall

How can I set up non-crystallographic restraints involving only one half
of (a) residue(s) in dual conformation?  In refmac5.

Specifically, I need to restrain:
		A 235(A)-239(A) -> B 235-239
		A 235(B)-239(B) -> C 235-239

(I vaguely remember this being asked a while ago, and I attempted even
more vaguely to dig it out from the archives, but it's not that easy to
find stuff....  is there a search button somewhere that I missed?)

Thanx
Phraenquex

P.S.  Yup, it is *quite* clear in the density :-)




> -----Original Message-----
> From: Clemens Vonrhein [mailto:vonrhein@globalphasing.com]
> Sent: Monday, May 27, 2002 9:10 AM
> To: CCP4 Bulletin Board
> Subject: [ccp4bb]: Intel compilation for CCP4 4.2
> 
> 
> ***  For details on how to be removed from this list visit the  ***
> ***          CCP4 home page http://www.ccp4.ac.uk         ***
> 
> Dear all,
> 
> (finally) I managed t put a few infos together to get you started with
> using the Intel compilers on the latest CCP4 4.2 release. Please go to
> 
>   http://www.globalphasing.com/people/vonrhein/ccp4/
> 
> for more information.
> 
> Note 1: most programs should compile and run with any of the supported
>         Fortran/C compiler combinations. However, a few problems
>         remain - so if you figure out how to solve these please let me
>         know.
> 
> Note 2: I'm sure there is still some space for speed inprovements etc.
> 
> Cheers
> 
> Clemens
> 
> -- 
> 
> ***************************************************************
> * Clemens Vonrhein, Ph.D.          vonrhein@GlobalPhasing.com
> *
> *  Global Phasing Ltd.
> *  Sheraton House, Castle Park     Tel: +44-(0)1223-353033
> *  Cambridge CB3 0AX, UK           Fax: +44-(0)1223-366889
> *--------------------------------------------------------------
> * BUSTER Development Group      (http://www.globalphasing.com)
> ***************************************************************
>


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