[phenixbb] Alternate conformer and HOH clashes
Pavel Afonine
pafonine at lbl.gov
Sun Jul 24 15:19:03 PDT 2011
Hi Yuri,
yes Ralf's suggestion should solve this, otherwise please send the PDB
file with involved residues and tell how you expect them to behave in
refinement.
Pavel.
On 7/23/11 12:04 PM, Yuri wrote:
>
> Dear All,
> I am having trouble refining multiple conformers that would clash into
> a neighbouring side chain that also has an alternate conformer.
> An attempt to clarify:
> Lets say a Tyr residue has conformation A1, but also moves into a
> position B1.
> In postition B, its side chain would clash into a neighbour Phe A2.
> However this Phe has another conformation B2.
> Bottom line, B1 and B2 would not clash, neither would A1 and A2. Any
> other combo (A1 B2, etc...) would clash.
> When I model it all in I see problems...
> I encounter the same situation with partially occupied HOHs.
> Whats the best way to deal with this
> Thank you
>
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