Re: [ccp4bb] Calculating volume of Ligands

Protein crystallography Programs for crystallography X-ray detectors
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Subject: Re: crystallisation robot
From: Bernhard Rupp bernhardrupp {- at -} SBCGLOBAL {- dot -} NET
Date: 2008-01-15

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Subject: Re: Calculating volume of Ligands
From: harry powell harry {- at -} MRC-LMB {- dot -} CAM {- dot -} AC {- dot -} UK
Date: 2008-01-16

Subject: Re: Calculating volume of Ligands
From: Tim Gruene tg {- at -} SHELX {- dot -} UNI-AC {- dot -} GWDG {- dot -} DE
Date: 2008-01-16

ccp4 includes a program called 'volume' that does this. see 'man volume'
for a description, or $CCP4/html/volume.html

Tim

--
Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen

GPG Key ID = A46BEE1A

On Tue, 15 Jan 2008, Rajan Pillai wrote:

> Hi All,
>
> Can anyone tell me any program that calculates voume of a ligand? Moreover,
> is there also any program that can calculate the volume of a ligand from its
> coordinates?
>
> Thanks,
>
> Rajan.
>

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CCP4bb <-- 2008 <-- January 2008 <-- 16 January 2008

Previous message:
Subject: Re: crystallisation robot
From: Bernhard Rupp bernhardrupp {- at -} SBCGLOBAL {- dot -} NET
Date: 2008-01-15

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Subject: Re: Calculating volume of Ligands
From: harry powell harry {- at -} MRC-LMB {- dot -} CAM {- dot -} AC {- dot -} UK
Date: 2008-01-16