[Chimera-users] Double coordinates for same residue

[Eric Pettersen]

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  
> easy
> enough to select the B alternative positions with "@.b" and then use
> "Actions > Atom/Bonds > delete" to wipe them out. Then save the new  
> PDB
> 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  
> inspect
> 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.

--Eric

                         Eric Pettersen
                         UCSF Computer Graphics Lab
                         http://www.cgl.ucsf.edu


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