If they are clashing do they have partial iccupancy? If so you should
set the occupancy of each copy to 0.5 say, then there will be no VDW
clashing checks done..
Eleanor
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Hello all,
I am currently trying refine a structure that contains two cofactors. When
I run refinement in Refmac, one of the cofactors is pushed out of the
electron density, and I believe this is due to a Van der Waals clash
between the two cofactors. Does anyone know of a way that I can keep the
cofactor in the electron density during refinement? I think it may involve
turning off van der waals between the two cofactors, but I am not sure how
to do this. I tried setting both cofactors to partial occupancy, but got
the same result.
Any help will be grately appreciated!
Jamie Wallen
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