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
>
|