Feature Requests item #1164492, was opened at 2005-03-16 15:01
Message generated for change (Comment added) made by egonw
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Category: Interface Improvements
Group: v10
>Status: Closed
Priority: 5
Submitted By: Noel O\'Boyle (baoilleach)
Assigned to: Nobody/Anonymous (nobody)
Summary: Data Visualisation

Initial Comment:
Dear Jmol team,
You've done a very good job on the Jmol Applet...for
chemistry and biology. How about doing a similar job
for people who want to visualise data?

I use Jmol to visualise the results of principal
components analysis on compounds described in a
descriptor-space (analysed using R). In short, see
http://www.redbrick.dcu.ie/~noel. (I have an R script
which writes a html file containing the 'molecular'
information inline)

If you split off a side-project, changed a few commands
to make it easier to add lines, draw the axes through
the origin, etc, etc., it would make it a lot easier
for people to use Jmol for such purposes. What do you
think?

Regards,
Noel O'Boyle.

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>Comment By: Egon Willighagen (egonw)
Date: 2006-08-22 15:19

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Really outside the scope of this project.

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Comment By: Miguel (migueljmol)
Date: 2005-03-16 15:13

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Several people have played with generating .xyz files to
display surfaces and analytical data. 

The system could certainly be generalized as you described
... but it is not something that I am able to undertake at
this time. 


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