Eleanor Dodson wrote:
Paul Emsley wrote:
James Whittle wrote:
Hi-
I'm trying for the first time to work with a structure in spacegroup
H32. Coot reads the CRYST card, but when I build a helix, or look at
a H32 PDB entry, the symmetry mates appear squished. I know there is
some discussion about handling this spacegroup: do I need to change
the CRYST line to get the structure to display correctly?
<chuckle> what timing :-)
OK, so the answer is that Coot does not support such a spacegroup
symbol. You need to specify it as "R 3 2 :H".
Paul
Paul - you have to fix this - until such time as PDB depositions return
such a symbol. At the moment they have H32
Actually, at the moment they have "H 3 2".
For example, I tried 1B41 and that displays symmetry just fine, as Kevin
suggests. James, name an accession code that appears to have squished
symmetry (you are using the latest stable version, I take it).
Fitting a helix is a different story though, I get a pdb file with a
rhombohedral spacegroup but hexagonal cell (which makes a mess of the
symmetry related coordinates of course). Both cell and spacegroup for a
"Fit Helix" molecule should be picked up from the map/MTZ file - so I
don't know what is going on there.
Paul.
