Re: [ccp4bb] Program to fill unitcell randomly

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

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Subject: Program to fill unitcell randomly
From: "Mueller, Juergen-Joachim" jjm {- at -} MDC-BERLIN {- dot -} DE
Date: 2008-11-28

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From: Ben Akiyama akiyama {- at -} BIOLOGY {- dot -} UCSC {- dot -} EDU
Date: 2008-11-28

Subject: Re: Program to fill unitcell randomly
From: Ethan A Merritt merritt {- at -} U {- dot -} WASHINGTON {- dot -} EDU
Date: 2008-11-28

On Friday 28 November 2008, Mueller, Juergen-Joachim wrote:
>
> Dear all,
> does anybody know a program to
> fill an unit cell a,b,c randomly by an arbitrary number
> of spheres (atoms)?

First you would need to define "random".
Uniform density throughout the lattice?
Uniform distribution of neighbor-neighbor distances?
Uniform fractional coodinates?
Must the placement conform to space group symmetry?

It is probably impossible to satisfy all of the above jointly.

--
Ethan A Merritt
Biomolecular Structure Center
University of Washington, Seattle 98195-7742

CCP4bb navigation

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

Previous message:
Subject: Program to fill unitcell randomly
From: "Mueller, Juergen-Joachim" jjm {- at -} MDC-BERLIN {- dot -} DE
Date: 2008-11-28

Next message:
Subject: RNA Torsion Angle Measurement Error
From: Ben Akiyama akiyama {- at -} BIOLOGY {- dot -} UCSC {- dot -} EDU
Date: 2008-11-28