Since this business is growing, I just wrote a page in the wiki for explaining how to load models from DBs:
http://wiki.jmol.org/index.php/Database_Connection Bob, can you have a look at it and see if it is correct? Also, I would suggest that in addition to the shorthand notations (=, ==, $, : which are good for scripting if you use them often) there could be a more explicit syntax, alog the lines of "load smiles CCCO", for loading from PDB, from CACTUS, from PubChem. That will help the ocasional user to get it right. Given that --for legacy reasons-- the first word after "load" is always a special token or ignored, maybe it could be done like load PDB 1crn // from RCSB PDB load PDBL etb // from RCSB PDB ligands load CACTUS aspirin // from Cactus / Resolver / NCI-NIH load NCI aspirin // from Cactus / Resolver / NCI-NIH load PubChem aspirin // from PubChem Opinions?? Feasible?? ------------------------------------------------------------------------------ Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
