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Re: [ccp4bb] software to calculate VDW interactions between small molecule and protein
 

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CCP4bb <-- 2007 <-- February 2007 <-- 28 February 2007
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Subject: Filament lifetime on Rigaku Micromax007
From: P {- dot -} K {- dot -} Bryant {- at -} MANCHESTER {- dot -} AC {- dot -} UK
Date: 2007-02-28 		Next message:
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From: 2shivesh {- at -} GMAIL {- dot -} COM
Date: 2007-02-28


Subject: Re: software to calculate VDW interactions between small molecule and protein
From: tadeusz {- dot -} j {- dot -} skarzynski {- at -} GSK {- dot -} COM
Date: 2007-02-28
CONTACT from the CCP4 suite can do this - have a look at the documentation
and examples.

Tadeusz




"mathias"
Sent by: "CCP4 bulletin board"
27-Feb-2007 18:43
Please respond to "mathias"


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CCP4BB@JISCMAIL.AC.UK
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Subject
[ccp4bb] software to calculate VDW interactions between small molecule and
protein






Dear all,

Can anyone of you guys recommend free software, or any open access
internet server, to calculate VDW interactions of small molecules
binding to protein. The only information I need is an output file
which lists all amino acids of the target protein which make VDW
interactions with the binding small molecule.
Thank you very much for your help and recommendations,

Mathias



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