Re: [COOT] symmetry molecules in H32

2008-10-29 Thread James Whittle
I'm sorry to have ignited more controversy. As seems somehow always inevitable, I now find I can't recreate the problem I saw before: the PDB file that yesterday looked squished (1a4x) now displays fine, so it's likely there is no problem with how your code handles pdb entries. It's rather

Re: [COOT] symmetry molecules in H32

2008-10-29 Thread Paul Emsley
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 ab

Re: [COOT] symmetry molecules in H32

2008-10-29 Thread Kevin Cowtan
Doesn't mmdb read the 'old' lines from syminfo.lib? In which case, H 3 2 should work. H32 without spaces clearly won't, and I don't think such a symbol would be present in a modern (remediated) PDB file. symbol ccp4 155 symbol Hall ' R 3 2"' symbol xHM 'R 3 2 :H' symbol old 'H 3 2' Eleanor

Re: [COOT] symmetry molecules in H32

2008-10-29 Thread Eleanor Dodson
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 space

Re: [COOT] symmetry molecules in H32

2008-10-28 Thread Paul Emsley
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

[COOT] symmetry molecules in H32

2008-10-28 Thread James Whittle
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