Re: [ccp4bb] pointless (1.2.0) and enantiomorphic SG's

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

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From: "Green, Todd" green {- at -} CBSE {- dot -} UAB {- dot -} EDU
Date: 2007-11-08

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Subject: Re: pointless (1.2.0) and enantiomorphic SG's
From: Phil Evans pre {- at -} MRC-LMB {- dot -} CAM {- dot -} AC {- dot -} UK
Date: 2007-11-09

It just picks the first in the list, to store in the output MTZ file,
which can only handle one (92 < 96)
Phil

On 8 Nov 2007, at 22:26, Bryan W. Lepore wrote:

> when pointless (1.2.0) finds enantiomorphic SG's, what is the
> criterion for 'Selecting' one over the other?
>
> e.g. i ran pointless on some tetragonal data, and the enantiomorphs
> SG92/SG96 are selected as strong candidates
>
> Spacegroup TotProb SysAbsProb Reindex
> Conditions
>

( 92) 0.956 0.956 00l:
> l=4n, h00: h=2n (zones 1,2)
>

( 96) 0.956 0.956 00l:
> l=4n, h00: h=2n (zones 1,2)
>
> ... then pointless reports :
>
> Selecting space group P 41 21 2 as solutions are enantiomorphic
> Best Solution space group P 41 21 2
>
> ... is that b/c pointless can only report one, and SG92 came up first?
>
> -bryan

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

Previous message:
Subject: Re: interactive program to mutate RNA models
From: "Green, Todd" green {- at -} CBSE {- dot -} UAB {- dot -} EDU
Date: 2007-11-08

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Subject: Collaborative Crystallography Program - Advanced Light Source
From: Paul Adams PDAdams {- at -} LBL {- dot -} GOV
Date: 2007-11-09