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Re: [ccp4bb] atomic FF used in SFALL
 

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CCP4bb <-- 2007 <-- October 2007 <-- 11 October 2007
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Subject: Re: His tag does not bind.
From: Anastassis Perrakis a {- dot -} perrakis {- at -} NKI {- dot -} NL
Date: 2007-10-11 		Next message:
Subject: Re: His tag does not bind.
From: Tommi Kajander tommi {- dot -} kajander {- at -} HELSINKI {- dot -} FI
Date: 2007-10-11


Subject: Re: atomic FF used in SFALL
From: Bernhard Rupp bernhardrupp {- at -} SBCGLOBAL {- dot -} NET
Date: 2007-10-11
> what is the limit of N in a practical case for the Gaussian
approximation.........

The resolution. Less resolution, less terms needed.
see Acta papers TenEyck 1977 particularly Agarwal 1978,
and the cctbx section in newsletter:
http://
cci.lbl.gov/publications/download/iucrcompcomm_jan2004.pdf

br

_____

From: Jayashankar [mailto:s.jayashankar@gmail.com]
Sent: Thursday, October 11, 2007 10:54 AM
To: bernhardrupp@sbcglobal.net
Subject: Re: [ccp4bb] atomic FF used in SFALL




On 10/11/07, Bernhard Rupp <
bernhardrupp@sbcglobal.net> wrote:

It seems that 5-Gaussian is indeed the accepted technical term
for the 9-parameter expansion:
Given that a5=c and b5=0, the 5th Gaussian can be a constant.

Continuing this reasoning, even a binary mumber can be represented
as series of Gaussians.....a=0,b=0; a=1, b=0

This is called 'Gomputing'.

Cheers, br

-----Original Message-----
From: Eleanor Dodson [mailto:ccp4@ysbl.york.ac.uk]
Sent: Thursday, October 11, 2007 1:26 AM
To: bernhardrupp@sbcglobal.net
Cc: CCP4BB@jiscmail.ac.uk
Subject: Re: [ccp4bb] atomic FF used in SFALL

I wrote that - is a constant a Gaussian? Anyway that is how I got 5 - and it

is the

9-parameter Cromer-Mann approximation..

And Yes - each component is added to the B value to build up the real space
atomic density.

as you show.

Eleanor





--
S.Jayashankar
Research Student
Institute for Biophysical Chemistry
Hannover Medical School
Germany



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