Oh, yes. Indeed. The SAGE community is using Jmol for pure mathematics. Best
would be the PDB or simple XYZ file format. I wouldn't futz with CIF.
On Wed, Jun 10, 2009 at 11:43 AM, C Anthony Lewis <[email protected]>wrote:
> Colleagues,
>
>
>
> I would like to plot a small number (initially six but eventually maybe up
> to 50 or so) of points on x, y and z axes (i.e. in “3D”) and have the graph
> rotatable. In addition, I would like each point to be enclosed in a spheroid
> representing the error of each value along the x, y and z axes. It seems to
> me that Jmol’s ability to plot crystallographic data (from a .cif file, I
> believe) might fit the bill.
>
>
>
> Is this feasible and relatively easy to do? Is it possible to cludge the
> cif file so it just contains each data point and it’s associated error?
>
>
>
> Many thanks for any pointers and also thanks for all the hard work
> developing Jmol.
>
>
>
> All the best,
>
>
>
> Anthony
>
>
>
>
>
> C. Anthony Lewis
>
> Petroleum & Environmental Geochemistry Group,
>
> School of Earth, Ocean and Environmental Sciences,
>
> University of Plymouth,
>
> Plymouth, Devon PL4 8AA, U.K.
>
>
>
> tel: +44 (0)1752 584554
>
> email: [email protected]
>
> web: http://www.pegg.org.uk
>
> http://www.plymouth.ac.uk/chemistry
>
>
>
>
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>
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
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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royalty-free distribution of the report engine for externally facing
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