[Chimera-users] Double coordinates for same residue
pett at cgl.ucsf.edu
Thu Sep 15 10:33:01 PDT 2011
On Sep 15, 2011, at 10:11 AM, Hurt, Darrell (NIH/NIAID) [E] wrote:
> I'm sure the Python script will work for you. However, it should be
> enough to select the B alternative positions with "@.b" and then use
> "Actions > Atom/Bonds > delete" to wipe them out. Then save the new
> file. This will do exactly the same thing as the script you
> identified and
> may be easier for you.
> If you want to consider occupancy values, you may have to manually
> the PDB file yourself. But maybe Elaine can come up with a clever
> way to
> do that in Chimera...
You can use the Dock Prep tool (in Surface/Binding Analysis) to
eliminate the lower-occupancy alt locs. Or for these 50/50 alt locs,
to get down to just one of the two.
UCSF Computer Graphics Lab
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