Whatever the problem is, it has to do with loading a trashy 2D structure
instead of a good 3D structure, apparently.
I have placed a taxol structure in jsmol/data so you can see that it does
work: http://chemapps.stolaf.edu/jmol/jsmol/inchi.htm
I note that in creating this from the RCSB ligand TA1, I had to invent a
new way to write a MOL file:
load ==TA1
write MOL0 "taxol.mol"
The new MOL0 format avoids use of the aromatic single and aromatic double
bond types 6 and 7.
(There is a bug in inchi.js that it cannot read these bond types.)
Bob
------------------------------------------------------------------------------
Transform Data into Opportunity.
Accelerate data analysis in your applications with
Intel Data Analytics Acceleration Library.
Click to learn more.
http://pubads.g.doubleclick.net/gampad/clk?id=278785111&iu=/4140
_______________________________________________
Jmol-users mailing list
Jmol-users@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/jmol-users
