You can use Coot to find the centre of mass. In the scripting window just
type:
in scheme:
(centre-of-mass yourmoleculenumber)
or in python:
centre_of_mass(yourmoleculenumber)
Bernhard
BTW the American spelling of centre (center) should work too...
> Dear all,
>
> I was trying to do a NCS averaging of the map using Resolve. I had a
> partial model, which generated a rotation and translation matrix by
> program lsqkab. Resolve also requires a center of mass input. Do you
> know any program can estimate it either by map or pdb file?
> Thanks.
>
> Nian Huang
> Department of Biochemistry
> Univ of Texas Southwestern Medical Center
>
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