Hi,
It may just be a typo in your letter, but there should only be
a single space between the last zero and the "P". Spacing matters
in PDB files.
Dale Tronrud
Pavan wrote:
Thanks for all those quick replies! Im sorry my post didnt carry the
CRYST1 line.
It should have read:
CRYST1 86.316 86.316 279.245 90.00 90.00 120.00 P 65
I tried all your suggestions but I still cannot get coot to read the SG.
What is strange is that when coot starts up (coot --pdb ABCD.pdb) it
gives these information messages in terminal:
<...snip>
Reading coordinate file: /sw/share/coot/standard-residues.pdb
PDB file /sw/share/coot/standard-residues.pdb has been read.
No Spacegroup found for this PDB file
Cell: 40.631 109.18 93.243 90 90 90
art_render_invoke: no image source given
art_render_invoke: no image source given
initalize graphics molecules...initializing molecules...done
done.
(handle-read-draw-molecule-with-recentre "ABCD.pdb" 1)
Reading coordinate file: ABCD.pdb
PDB file ABCD.pdb has been read.
No Spacegroup found for this PDB file
Cell: 86.316 86.316 279.245 90 90 120
!! Warning:: No symmetry available for this molecule
No Symmetry for this model
INFO:: NCS chain comparison 0/644
Molecule 0 read successfully
<snip...>
It apparently cannot read the space group info from the
standard-residues.pdb either. The CRYST1 line from that pdb reads as
follows:
CRYST1 40.631 109.180 93.243 90.00 90.00 90.00 P 1
This pdb seems to be part of the coot install. I haven't touched this
file before.
Any thoughts? And thanks for your time.
Pavan
On Mon, Mar 17, 2008 at 5:47 PM, Tim Gruene <[EMAIL PROTECTED]> wrote:
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
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