[ccp4bb] Cavity filling

- Protein crystallography

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- Protein purification
- Crystallisation

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- X-ray detectors

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

Previous message:
Subject: Re: Lots of noise in structure
From: "Soisson, Stephen M" stephen_soisson {- at -} MERCK {- dot -} COM
Date: 2010-01-06

Next message:
Subject: Re: Lots of noise in structure
From: "Mark J {- dot -} van Raaij" mark {- dot -} vanraaij {- at -} USC {- dot -} ES
Date: 2010-01-06

Subject: Cavity filling
From: Simon Kolstoe s {- dot -} kolstoe {- at -} UCL {- dot -} AC {- dot -} UK
Date: 2010-01-06

Dear ccp4bb

A structure I have recently finished has a cavity with four waters in
it. I am wondering if I might be able to fit a small molecule in the
same place. Does anyone know a way of making some type of map of this
cavity and then searching through a small molecule library to see what
might fit in it (I'm guessing there is commercial software that will
do this however I am after something without large financial
commitments!)?

Thanks,

Simon

CCP4bb navigation

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

Previous message:
Subject: Re: Lots of noise in structure
From: "Soisson, Stephen M" stephen_soisson {- at -} MERCK {- dot -} COM
Date: 2010-01-06

Next message:
Subject: Re: Lots of noise in structure
From: "Mark J {- dot -} van Raaij" mark {- dot -} vanraaij {- at -} USC {- dot -} ES
Date: 2010-01-06