[phenixbb] Unmasking cavities
Frank von Delft
frank.vondelft at sgc.ox.ac.uk
Sun Sep 28 15:25:51 PDT 2008
Hi
After being through phenix.refine, I see in my hydrophobic core a big
space (a few atoms wide) that is filled with strong negative difference
density. I suspect the culprit is the bulk solvent mask, which is
defined too tightly.
The online manual mentions three parameters, but not what they do.
solvent_radius,
shrink_truncation_radius,
grid_step_factor
What *exactly* do they do?
(I thought I'd elicit a contribution for the online docs this way :)
Cheers
phx
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