Re: [Jmol-users] calculate partialcharge broken ?

[Robert H. <ha...@st...>]

fixed http://chemapps.stolaf.edu/jmol/simple2.htm

http://chemapps.stolaf.edu/jmol/Jmol-13.zip



On Fri, Jan 4, 2013 at 3:53 PM, Paul Pillot <pau...@ac...
> wrote:

> Apparently the command "calculate partialcharge" doesn't work in v13.1.11
> and causes the applet to stop working
>
> To reproduce the bug :
> http://chemapps.stolaf.edu/jmol/docs/examples-12/simple.htm
> Click Load MOL by NAME
> Load the default model
> Type in the command slot : "calculate partialcharge"
>
> the java console gives back the following message :
> script 4 started
> 0 SMARTS matches used
> QueueThread1_41 exception java.lang.IndexOutOfBoundsException: Index: 0,
> Size: 0
>
> Paul
>
>
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-- 
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Chemistry Department
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr


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