Hi,
thanks Bob for the new remapping feature and the bug fixing on isosurfaces -
very useful to me!
Alex
Am 28.04.2011 um 15:03 schrieb Robert Hanson:
> Just a quick note -- Jmol 12.1.43 was released with a bug that broke MOs.
> Thanks, Nico, for quickly releasing 12.1.44 to fix that. I'll do a bit more
> testing to make sure all is OK. Sorry about that.
>
> Jmol 12.1.44 has a couple of very nice features.
>
>
> # new feature: show chemical name
> # new feature: show chemical InChI
> # new feature: show chemical InChIKey
> # new feature: show drawing (2D line drawing, from NIH)
>
> Jmol now seamlessly interfaces with NIH to construct 3D models from
> IUPAC-style names and InChI
>
>
> # new feature: isosurfaces can be remapped.
> # isosurface molecular map property temperature
> # isosurface map property partialcharge
> # isosurface vdw
> # isosurface map mep
>
> Jmol now allows remapping of isosurfaces. This is very fast.
>
> Bob
>
>
> --
> 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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