LSQKAB also tells you the centres of mass of the molecules you are fitting
Look in the log file (Centroid == centre of mass)
CENTROID OF "WORKING" MOLECULE : -87.717 116.189 1.694
CENTROID OF "WORKING" MOLECULE :(fractional) -0.180 1.170 0.010
CENTROID OF "REFERENCE" MOLECULE: 27.449 -14.779 52.855
CENTROID OF "REFERENCE" MOLECULE:(fractional) 0.165 -0.149 0.324
Distance between CENTROIDS : 181.751
Direction cosines of vector between CENTROIDS: -0.634 0.721 -0.281
Eleanor Dodson
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
