How are you determining which bonds go with which properties in your file?
On Mon, Jan 16, 2017 at 10:14 AM, Max Pinheiro Jr <maxj...@gmail.com> wrote:
> Dear Jmol team,
>
> I am trying to make a figure of a molecule in which the bonds are colored
> by a RGB scale according to the values read from a data file. I have done
> something similar to this idea in the case of coloring atoms by the value
> of partial charges:
>
> x = load("charges.dat")
> set propertydatafield 1
> data "property_partialcharge @x"
> {y>0}.label = load("charges.dat").split()
> color property_partialcharge "bwr" range 0.7 1.3
> write IMAGE PNG "color_by_charges.png"
>
> It worked pretty well in this case but I couldn't find a way to update my
> script for the case of coloring bonds. I tried to use the "
> property_bond_lengths" but it seems to have the same effect as in the
> partialcharge. Is there a way to do such color maps of bonds in jmol? If
> yes, could somebody, please, give me a suggestion of how to do that?
>
> I will be grateful for any help you can provide.
>
> All the best,
>
> Max Pinheiro Jr
>
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--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
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
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