FormalCharge seems to be no longer affecting atom radius. With the
previous version a statement as jmolButton("load molecules/nacl333.mol; set
formalCharge (Na) 1; set formalCharge (Cl) -1;spacefill ionic 105%;
background [xFFFFEE]", "NaCl") gave a very reasonable structure with Cl-
larger than Na+. With 14.0.11 it seems to ignore everything after the
molecule filename and produces what one would get without any additional
code. Examples are shown here (press the NaCl button to get the same
example mentioned in the code above):
work fine in previous version -
http://www.flicksstuff.com/jsmol/inorganiccrystals.html
does not work in 14.0.11 -
http://www.flicksstuff.com/Jmol/jsmol/inorganiccrystals.html
Any ideas would be useful.
Thanks,
Flick
_______________
William F. Coleman
Professor Emeritus of Chemistry
Wellesley College
Wellesley MA 02481
------------------------------------------------------------------------------
Learn Graph Databases - Download FREE O'Reilly Book
"Graph Databases" is the definitive new guide to graph databases and their
applications. Written by three acclaimed leaders in the field,
this first edition is now available. Download your free book today!
http://p.sf.net/sfu/13534_NeoTech
_______________________________________________
Jmol-users mailing list
Jmol-users@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/jmol-users
