Re: [ccp4bb] Protein PDB in Crystal Environment

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

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Subject: resolution and hydrogen bonds
From: Jacqueline Vitali jackie {- dot -} vitali {- at -} GMAIL {- dot -} COM
Date: 2007-03-09

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Subject: Re: Protein PDB in Crystal Environment
From: Liz Potterton lizp {- at -} YSBL {- dot -} YORK {- dot -} AC {- dot -} UK
Date: 2007-03-09

Hello Manfred and CCP4bb,

Funny, you are not the only person trying to something like this, so I have a
CCP4mg script (attached) which does the job. You do need a recent version of
ccp4mg for it to work - contact me for details.

Liz

On Thursday 08 March 2007 15:33, Manfred S. Weiss wrote:
> Hi all,
>
> before I start with some scripting myself, does anybody have a
> utility, which takes a PDB and the cell and space group information
> and then writes out the original PDB together with all molecules
> contacting the first one in the crystal?
>
> Thanks,
>
> Manfred.
>
> ********************************************************************
> * *
> * Dr. Manfred S. Weiss *
> * *
> * Team Leader *
> * *
> * EMBL Hamburg Outstation Fon: +49-40-89902-170 *
> * c/o DESY, Notkestr. 85 Fax: +49-40-89902-149 *
> * D-22603 Hamburg Email: msweiss@embl-hamburg.de *
> * GERMANY Web: www.embl-hamburg.de/~msweiss/ *
> * *
> ********************************************************************

CCP4bb navigation

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

Previous message:
Subject: resolution and hydrogen bonds
From: Jacqueline Vitali jackie {- dot -} vitali {- at -} GMAIL {- dot -} COM
Date: 2007-03-09

Next message:
Subject: digests
From: Charles Ballard C {- dot -} C {- dot -} Ballard {- at -} DL {- dot -} AC {- dot -} UK
Date: 2007-03-09