Bob,
I'm trying to make your script work on a local (served) file. There are
two file references in your script. I don't understand the second one,
and I suspect my substitution (below) is causing problems:
var s = "/*\t"+ i + "\t" + ept + " " + elements[ept] + "\t" + pt +
"\t" + atoms + "\t" + x + "\t*/\tload ../models/octahedral.txt;
rotate x 20;set echo top left; echo " + i + ";"
What's going on in this variable definition?
Otis
Otis Rothenberger
chemagic.com
On 11/16/2010 8:38 AM, Robert Hanson wrote:
> OK, OK.
>
> Here's a neat script. -- A chiral octahedral compound generator!
>
> It opens $SF6 -- from the NIH CACTVS server, and for 1000 cycles it
> then randomly changes ligands, looking for errors in the algorithm by
> matching the structure to the stereochemical SMILES that Jmol creates
> for it. In addition, it switches chirality and checks to see if those
> are the same. If not, it reports a line that can be used to load that
> chiral compound for inspection. Logs to JmolLog_testSmiles.log
>
> Requires Jmol 12.1.24_dev
> http://chemapps.stolaf.edu/jmol/docs/examples-12/Jmol-12.zip
>
> Bob
>
>
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