...just like they were JME files...
On Tue, Jun 29, 2010 at 5:50 PM, Robert Hanson <hans...@stolaf.edu> wrote:
> 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
> <osrot...@chemagic.com>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
>
--
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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