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Re: [ccp4bb] bug in pdbset?
 

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CCP4bb <-- 2007 <-- April 2007 <-- 17 April 2007
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Subject: bug in pdbset?
From: "Juergen J {- dot -} Mueller" jjm {- at -} MDC-BERLIN {- dot -} DE
Date: 2007-04-17 		Next message:
Subject: Re: phosphorylation of protein is troublesome or not for crystallization
From: artem {- at -} XTALS {- dot -} ORG artem {- at -} XTALS {- dot -} ORG
Date: 2007-04-17


Subject: Re: bug in pdbset?
From: Phil Evans pre {- at -} MRC-LMB {- dot -} CAM {- dot -} AC {- dot -} UK
Date: 2007-04-17
I don't think you meant to do this.

"polar 45 45 0" means no rotation: the 3rd value is the rotation
around the axis defined by the first two angles. If you rotate by 0
degrees, it doesn't matter which axis you don't rotate around.

Phil

pdbset xyzin test-0_2fold.pdb
xyzout temp.pdb
<cell 100.0 100.0 100.0 90.000 90.000 90.000
spacegroup P1
ROTATE POLAR 45.0 45.0 0.0
eof



On 17 Apr 2007, at 09:41, Juergen J. Mueller wrote:

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