look now, Aidan. I've wanted to be able to do this myself for some time. Still not PERFECT, because current measures are not selectively addressable, but an advancement, I think. Certainly it should do what you want it to do.
Yes ... and no! Sorry to be a pain, but I am trying to load my disordered structures into jmol 10.x.* and then use the new symmetry features to fill out the unit cell and neighbouring cells.
When I try to load a pdb file (which has the correct conect records so I don't have spurious bonds) jmol does not seem to recognise their is symmetry information in the file (there is, trust me), so I cannot do the symmetry expansions. If I use shelx (.res) or CIF files the symmetry information is recognised, but there is no bonding information, so I get spurious bonds and the automagic "molecule" identification does not work!
Should PDB symmetry information be respected? Or is this unimplemented as of now?
Thanks again for your help, Cheerio Aidan ------------------------------------------------------- All the advantages of Linux Managed Hosting--Without the Cost and Risk! Fully trained technicians. The highest number of Red Hat certifications in the hosting industry. Fanatical Support. Click to learn more http://sel.as-us.falkag.net/sel?cmd=lnk&kid=107521&bid=248729&dat=121642 _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
