[phenixbb] Alternate conformer and HOH clashes

Ralf Grosse-Kunstleve rwgrosse-kunstleve at lbl.gov
Sat Jul 23 20:05:27 PDT 2011

Hi Yuriy,
Could you swap the A,B assignment for PHE?
The general rules are:
  altloc " " (blank) interacts with all other altloc
  altloc "X" only interacts with " " and "X"

On Sat, Jul 23, 2011 at 12:04 PM, Yuri <yuri.pompeu at ufl.edu> 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
> --
> Yuri Pompeu
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