Bob,

Tom Newton noticed that the PubChem sdf for :menthol is a multi molfile record. 
The sdf opens with a single molfile visible, but 3 other molfiles (all sightly 
different) appear in the data appendix of the sdf. They are loaded into Jmol 
also. I’m assuming this is all by design and part of the PubChem sdf structure.

I corrected this on my end by using Jmol’s load “" [1] as a permanent filter 
for PubChem loads. I’m not sure if you want to do this on the Jmol end, but I 
though that I’d give you a heads up.

I’ll also mention something related that I brought up before. In a conversation 
with PubChem, a staff member pointed me toward extracting data from the PubChem 
JSON files via a laborious loop. He pointed out that the structure of these 
files vary considerably from compound to compound. Indeed!

Otis

--
Otis Rothenberger
o...@chemagic.org
http://chemagic.org

------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
Jmol-users mailing list
Jmol-users@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/jmol-users

Reply via email to