Re: [ccp4bb]: Alternate conformations

["David J. Schuller" <djs63@cornell.edu>]

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On Wed, 1 May 2002, Carina Lobley wrote:

> Sorry this is not directly CCP4 related!
> 
> I have been trying to refine a structure with side chains in alternate
> conformations using CNS-1.1 with very little sucess. I have tried to
> follow the instructions on the CNS FAQ and from other CCP4 discussions.
> Unfortunately I have not been able to solve the problem.
> 
> I have taken the output from xtalview with only one conformation included
> and put it through generate. When I try and run alternate.inp although it
> runs and selects the right residue it does not duplicate it.
> 
> Can anyone offer any advice?

this could be CCP4-related, if you wanted it to be. if you give REFMAC5 a 
try you'll find that dealing with alternate conformations is very simple 
and straightforward.  oh, and its really fast, too.

cheers,
=======================================================================
If we started hunting "bipedal lizards through gloomy tunnels with a shotgun"
Apple might become the new SGI for crystallographers - Laurie Betts, Ph.D.
=======================================================================
                        David J. Schuller
                        modern man in a post-modern world
                        MacCHESS, Cornell University
                        djs63@cornell.edu