Re: [ccp4bb] Program to find the center of mass

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CCP4bb <-- 2007 <-- May 2007 <-- 10 May 2007

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Subject: Re: Refmac and B factors
From: Flip Hoedemaeker flip {- at -} KEYDP {- dot -} COM
Date: 2007-05-10

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Subject: Re: Refmac and B factors
From: "Kolstoe S {- dot -} E {- dot -} " S {- dot -} E {- dot -} KOLSTOE {- at -} SOTON {- dot -} AC {- dot -} UK
Date: 2007-05-10

Subject: Re: Program to find the center of mass
From: Eleanor Dodson ccp4 {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-05-10

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
>
>

CCP4bb navigation

CCP4bb <-- 2007 <-- May 2007 <-- 10 May 2007

Previous message:
Subject: Re: Refmac and B factors
From: Flip Hoedemaeker flip {- at -} KEYDP {- dot -} COM
Date: 2007-05-10

Next message:
Subject: Re: Refmac and B factors
From: "Kolstoe S {- dot -} E {- dot -} " S {- dot -} E {- dot -} KOLSTOE {- at -} SOTON {- dot -} AC {- dot -} UK
Date: 2007-05-10