On 17/01/12 18:19, David Schuller wrote:
Welcome to Coot. 0.6.2 (revision 3566) [with guile 1.8.8 embedded]
[with python 2.7.2 embedded]
Installed via yum: coot-0.6.2-8.20110715svn3566.fc16.x86_64
On Fedora 16 Linux
I am trying to view a PDB file with a centrosymmetric space group. It
doesn't seem to be working:
In the file:
CRYST1 29.302 23.215 23.184 72.96 90.60 90.60 P 1- 4
In the COOT log:
Reading coordinate file: ****.pdb
PDB file ****.pdb has been read.
No Spacegroup found for this PDB file
Cell: 29.302 23.215 23.184 72.96 90.6 90.6
...
No Symmetry for this model
==========================
Either COOT does not support centrosymmetric space groups, or else it is
not reading the space group identification properly from the standard
CRYST1 line.
OK, on further investigation, it is an mmdb issue - so most CCP4
programs will fail similarly.
IIRC, mmdb uses syminfo.lib for symmetry info - so if the symbol is
there, then symmetry is grokked.
I don't think this is an issue for me to fix, it is an issue of general
concern to CCP4. Are all "P -?.*" space groups affected? (Mostly
rhetorical question).
Maybe this is a PDB ploy to get us to switch to pdbx... :-/
Paul.
