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Re: [ccp4bb] Coot (OS X) unable to read CRYST1 line
 

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CCP4bb <-- 2008 <-- March 2008 <-- 17 March 2008
Previous message:
Subject: Re: question about processing data
From: Melody Lin xtalin2007 {- at -} GMAIL {- dot -} COM
Date: 2008-03-17 		Next message:
Subject: Re: Summary: Calculating R-factor and maps from a Refmac model containing TLS downloaded from the PDB
From: Dale Tronrud det102 {- at -} UOXRAY {- dot -} UOREGON {- dot -} EDU
Date: 2008-03-17


Subject: Re: Coot (OS X) unable to read CRYST1 line
From: Tim Gruene tg {- at -} SHELX {- dot -} UNI-AC {- dot -} GWDG {- dot -} DE
Date: 2008-03-17
your CRYST1 card is most likely missing the actual space group name. You
can fix this with e.g. pdbset:

pdbset xyzin your.pdb xyzout pdb-with-spacegroup-name.pdb << eof
spac P21212
end
eof

where you replace P21212 with your actual space group name.
Tim

--
Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen

GPG Key ID = A46BEE1A


On Mon, 17 Mar 2008, Pavan wrote:

> Hello all,
> I apologize for the off-topic post. I have a problem with Coot being
> unable to read the space group from the CRYST1 line in the PDB file.
> Although the space group is specified correctly, Coot seems unable to
> read it. It reads the unit cell dimensions and angles just fine - it
> seems to have a problem with just the space group.
> I use coot 0.4-pre-2 running on OS X Leopard on a Powerbook G4. The
> same PDB opens just fine on a Coot 0.4-pre-2 running on Redhat Linux
> Enterprise 5.
>
> The terminal window shows the following message when the pdb is opened:
>
> PDB file ABCD.pdb has been read.
> No Spacegroup found for this PDB file
> Cell: 55.76 118.43 122.38 107.8 98.36 91.4
> !! Warning:: No symmetry available for this molecule
> No Symmetry for this model
> Molecule 0 read successfully
>
> Has anybody else come across this problem?
>
> Thanks!
> Pavan
>

CCP4bb navigation

CCP4bb <-- 2008 <-- March 2008 <-- 17 March 2008
Previous message:
Subject: Re: question about processing data
From: Melody Lin xtalin2007 {- at -} GMAIL {- dot -} COM
Date: 2008-03-17 		Next message:
Subject: Re: Summary: Calculating R-factor and maps from a Refmac model containing TLS downloaded from the PDB
From: Dale Tronrud det102 {- at -} UOXRAY {- dot -} UOREGON {- dot -} EDU
Date: 2008-03-17


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