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

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

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Subject: Re: Program to find the center of mass
From: Clemens Vonrhein vonrhein {- at -} GLOBALPHASING {- dot -} COM
Date: 2007-05-10

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From: Flip Hoedemaeker flip {- at -} KEYDP {- dot -} COM
Date: 2007-05-10

Subject: Re: Program to find the center of mass
From: "Bernhard C {- dot -} Lohkamp" bernhard {- at -} CHEM {- dot -} GLA {- dot -} AC {- dot -} UK
Date: 2007-05-10

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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CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: Re: Program to find the center of mass
From: Clemens Vonrhein vonrhein {- at -} GLOBALPHASING {- dot -} COM
Date: 2007-05-10

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