[phenixbb] geometry_restraints between sym mates?
Ralf W. Grosse-Kunstleve
rwgk at cci.lbl.gov
Mon May 17 14:05:43 PDT 2010
Hi Scott,
> Is this possible?
>
> # on working model
> bond {
> atom_selection_1 = "name SM and chain M and resname SM and resseq 1"
> atom_selection_2 = "name OE1 and chain A and resname GLU and resseq 313"
> distance_ideal = 2.5
> sigma = 0.2
> }
> # on SYM mol
> bond {
> atom_selection_1 = "name SM and chain M and resname SM and resseq 1"
> atom_selection_2 = "name OE1 and chain A and resname GLU and resseq 285"
> distance_ideal = 2.5
> sigma = 0.2
> }
Sorry, I'm not certain where you see the potential problem.
Could you explain some more?
Just in case: phenix.refine support bonds to symmetry copies,
via e.g. symmetry_operation=-x,y,-z inside the bond scope.
I can explain more if that's what you are looking for.
Ralf
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