On 15 Oct 2007 at 19:21, Rolf Huehne wrote: > 4) There are currently 26 site IDs with special characters not > compatible with Jmol set definitions: > +--------+---------+ > | PDB_id | site_id | > +--------+---------+ > | 1a03 | L2' | > | 1a03 | LI' |
If the primes are your concern, we also must check them anyway because I've just read today the PDB has moved from asterisk for pentose numbering to prime. I'll do some testing on both pentose prime and site prime while I'm checking the remediated changes. > 5) You have to be careful with hetero component residue names. They > might clash with reserved words in Jmol. Therefore we avoid including > the residue name in the set definition. The safe way is to enclose residue names in square brackets. That's required or at least highly recommended when the residue name has numbers (such as SO4) , but it's safe in all cases. We could also not use residue name, just number, but I think it the SITE includes both, both shoul be used --just in case there is some ambiguity--. ------------------------------------------------------------------------- This SF.net email is sponsored by: Splunk Inc. Still grepping through log files to find problems? Stop. Now Search log events and configuration files using AJAX and a browser. Download your FREE copy of Splunk now >> http://get.splunk.com/ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
