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I suggest you give REFMAC5 a try. It has a much more straightforward
treatment of multiple conformations.
--
=======================================================================
I've gained no wisdom, no insight, no mellowing. I would make all the
same mistakes again, today. - Woody Allen
=======================================================================
David J. Schuller
modern man in a post-modern world
MacCHESS, Cornell University
[EMAIL PROTECTED]
On Mon, 2005-12-05 at 14:52 +0800, Jian Wu wrote:
> Now I am refining a set of low-resolution data which contains my
> enzyme, an acyl-CoA and a drug and all is OK for the protein and the
> acyl-CoA. But the modest density indicates that the drug maybe exist
> with dual conformtions and the pocket nearby accomodate enough space
> for the drug to convert from one conformation into another.
>
> Using the "alternate.inp" in CNS, I generate the coordinate file and
> structure file and then adjust the two conformers to the 'correct
> places'. However, the two conformers locate near to each other and
> have an overlapping hexacyclic ring. So when I want to refine it in
> CNS, it tell me that the two conformers have conflicts on the
> hexacyclic rings and automatically 'push' them out from the density. :
> (
>
> I am wondering if you guys have the similar experience. Any suggestion
> and comments are welcome!
>
> Thanks in advance!
>
>
> --
> Jian Wu
>
> Ph.D. Student
> Institute of Biochemistry and Cell Biology
> Shanghai Institutes for Biological Sciences
> Chinese Academy of Sciences (CAS)
> Tel: 0086-21-54921117
> Email: [EMAIL PROTECTED]
>
>
>
>
