Just a quick note -- Jmol 12.1.43 was released with a bug that broke MOs.
Thanks, Nico, for quickly releasing 12.1.44 to fix that. I'll do a bit more
testing to make sure all is OK. Sorry about that.
Jmol 12.1.44 has a couple of very nice features.
# new feature: show chemical name
# new feature: show chemical InChI
# new feature: show chemical InChIKey
# new feature: show drawing (2D line drawing, from NIH)
Jmol now seamlessly interfaces with NIH to construct 3D models from
IUPAC-style names and InChI
# new feature: isosurfaces can be remapped.
# isosurface molecular map property temperature
# isosurface map property partialcharge
# isosurface vdw
# isosurface map mep
Jmol now allows remapping of isosurfaces. This is very fast.
Bob
--
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
------------------------------------------------------------------------------
WhatsUp Gold - Download Free Network Management Software
The most intuitive, comprehensive, and cost-effective network
management toolset available today. Delivers lowest initial
acquisition cost and overall TCO of any competing solution.
http://p.sf.net/sfu/whatsupgold-sd
_______________________________________________
Jmol-users mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-users
