Yes, and Jmol will read those mol files and convert them to 3D just like
theyif you use
load "xxx.mol" filter "2D"
(although in the latest prerelease version of Jmol there could be a bug
there. )
Bob
On Sun, Jun 27, 2010 at 9:03 AM, Otis Rothenberger <[email protected]>wrote:
> Bob,
>
> This is a point of information that you may already know. I just
> discovered it, so I'll point it out just in case it's new information to
> you or other JME users.
>
> When the JME editor creates a molfile with JME.molFile(), it saves the
> same stereo information contained in the SMILES and the proprietary JME
> file. Where the JME file uses -1(up) and -2(down), the JME created
> molfile puts a 1(up) and 6(down, go figure) in the connection table's
> first extra info column, next to the bond in question.
>
> JME uses this information when it reconstructs a 2D drawing with the
> JME.readMolFile(str) function. In all of my playing, I simply missed
> this point until now.
>
> Otis
>
> --
> Otis Rothenberger
> chemagic.com
>
>
>
>
>
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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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