Dear Nian,
staying within CCP4:
% echo END | pdbset xyzin your.pdb
will print something like
Orthogonal Coordinate limits in output file:
Minimum Maximum Centre Range
On X : 103.67 119.61 111.64 15.94
On Y : 58.62 93.54 76.08 34.91
On Z : 32.12 48.75 40.43 16.63
which I guess is the geometric centre (but might be good enough for
RESOLVE.
Cheers
Clemens
On Wed, May 09, 2007 at 06:43:30PM -0500, Nian Huang wrote:
> 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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