Quick navigation:        Home   |    Site Map   ||    References   |    Biography   ||    Copyright   |    Other copyright   |    Contact us   |   
Protein structure
 

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

Basic tutorials: 		 
 

CCP4bb navigation

CCP4bb <-- 2007 <-- May 2007 <-- 10 May 2007
Previous message:
Subject: Re: Program to find the center of mass
From: Juergen Bosch jbosch {- at -} U {- dot -} WASHINGTON {- dot -} EDU
Date: 2007-05-09 		Next message:
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


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

--

***************************************************************
* Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com
*
* Global Phasing Ltd.
* Sheraton House, Castle Park
* Cambridge CB3 0AX, UK
*--------------------------------------------------------------
* BUSTER Development Group (http://www.globalphasing.com)
***************************************************************

CCP4bb navigation

CCP4bb <-- 2007 <-- May 2007 <-- 10 May 2007
Previous message:
Subject: Re: Program to find the center of mass
From: Juergen Bosch jbosch {- at -} U {- dot -} WASHINGTON {- dot -} EDU
Date: 2007-05-09 		Next message:
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


ProteinCrystallography.org: Copyright 2006-2008 by Quid United Ltd