[phenixbb] Alternate conformer and HOH clashes

Yuri yuri.pompeu at ufl.edu
Sat Jul 23 12:04:33 PDT 2011

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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