[ccp4bb] display a map from a quantum chemical calculation

Protein crystallography Programs for crystallography X-ray detectors
Basic tutorials:
Protein Peptide

CCP4bb navigation

CCP4bb <-- 2007 <-- September 2007 <-- 08 September 2007

Previous message:
Subject: Re: just how bad can phases be and still help
From: Victor Lamzin victor {- at -} EMBL-HAMBURG {- dot -} DE
Date: 2007-09-08

Next message:
Subject: Re: just how bad can phases be and still help
From: "Dunten, Pete W {- dot -} " pete {- at -} SLAC {- dot -} STANFORD {- dot -} EDU
Date: 2007-09-09

Subject: display a map from a quantum chemical calculation
From: William Scott wgscott {- at -} CHEMISTRY {- dot -} UCSC {- dot -} EDU
Date: 2007-09-08

Hi folks:

Is there a simple way (or a standard format) that would enable me to
display electron density calculated from a QM program and to compare
it with experimental density?

Thanks.

Bill

William G. Scott

contact info: http://chemistry.ucsc.edu/~wgscott

CCP4bb navigation

CCP4bb <-- 2007 <-- September 2007 <-- 08 September 2007

Previous message:
Subject: Re: just how bad can phases be and still help
From: Victor Lamzin victor {- at -} EMBL-HAMBURG {- dot -} DE
Date: 2007-09-08

Next message:
Subject: Re: just how bad can phases be and still help
From: "Dunten, Pete W {- dot -} " pete {- at -} SLAC {- dot -} STANFORD {- dot -} EDU
Date: 2007-09-09