Re: [Jmol-developers] controlling bond order

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

Miguel wrote:

> 
> So, what do people think about this ...
> 
> We introduce a new scripting command called 'bondOrder'.
> 
>   bondOrder [ 1 | 2 | 3 | aromatic | hbond ]
> 
> It applies to all pre-existing bonds within the current set of selected
> atoms ... just like 'wireframe'
> 
> It respects the 'set bondmode [ and | or ] ' setting ... just like
> 'wireframe'
> 

a. Need the possibility of bond order of 4.
b. What are you thinking "aromatic" will mean?
c. If you mean "partial" for "aromatic," you might consider the
    possibility of 0.5, 1.5, 2.5, 3.5, where these show with
    one of the lines dotted.

> Q: Is there a word other than 'bondOrder' that we should use?
> 

sounds right to me.

Bob Hanson

-- 

Robert M. Hanson, ha...@st..., 507-646-3107
Professor of Chemistry, St. Olaf College
1520 St. Olaf Ave., Northfield, MN 55057
mailto:ha...@st...
http://www.stolaf.edu/people/hansonr

"Imagination is more important than knowledge."  - Albert Einstein