Hens wrote: > Well, it is not so much the size that matters, as does the extra > information a pdb file carries for proteins: > e.g. secondary structure, amino acid labels, chains, models, and connect > records. > For non-proteins only the latter apply: bonding information in HETATM > lines. Agreed.
> Could be very usefull in small molecules too, for instance to show > double bonds. > Which opens new vistas! That is true. > Currently in Chime XYZ animations we can't show multiple bonds, but if > we equate PDB NMR Models to XYZ frames it could be possible to define > the bonding scheme for each separate structure! That is correct. > How to create such PDB models (from computational packages) is another > question; I'm willing to edit the files by hand if need arises. That may be our only option :-) > I don't recall: was it ever discussed to finetune the distance criteria > in JMol in order to decide upon the bond type? Jmol is not a bonding tool. If you need fine control then you should generate the bonding using a tool that will do what you want. Jmol will then faithfully render what you give it. Miguel ------------------------------------------------------- SF.Net is sponsored by: Speed Start Your Linux Apps Now. Build and deploy apps & Web services for Linux with a free DVD software kit from IBM. Click Now! http://ads.osdn.com/?ad_id=1356&alloc_id=3438&op=click _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
