Re: [ccp4bb]: REFMAC alternate conformations

[Tim Grüne <grune@embl-grenoble.fr>]

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I was looking for an answer to the same question today, and an answer was
given by Eleanor Dodson last year on ths bb:
---->
Date: Thu, 07 Jun 2001 12:22:44 +0100
You dont have to do asnything except supply the coordinates in sttdd
PDB format
eg:
ATOM    260  C   VAL B  12      -5.050   8.131   1.372  1.00  8.14
ATOM    261  O   VAL B  12      -5.595   8.653   0.398  1.00 11.63
ATOM    258  CB  VAL B  12      -3.153   9.538   2.230  1.00 11.54
ATOM    257  CG1AVAL B  12      -2.822   9.786   0.799  0.50  4.68
ATOM    257  CG1BVAL B  12      -2.809  10.670   3.148  0.50 17.75
ATOM    256  CG2AVAL B  12      -2.809  10.670   3.148  0.50 17.75
ATOM    262  CG2BVAL B  12      -1.963   8.655   2.123  0.50 10.87
Eleanor
<----
that works greatly.
Tim

On Fri, 8 Nov 2002, mwilkers wrote:

> ***  For details on how to be removed from this list visit the  ***
> ***          CCP4 home page http://www.ccp4.ac.uk         ***
>
> Does anyone know how to input possible alternate conformations of an amino
> acid into REFMAC.  Will I need two sets of coordinates?
>
> Matt W.
>