looks good to me.
On Thu, Apr 26, 2012 at 6:29 PM, Angel Herráez <[email protected]> wrote:
> 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??
>
>
>
>
>
>
>
>
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
------------------------------------------------------------------------------
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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/
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