I'm sending the SMILES string to NCI; the return from NCI is then sent to
ChemDoodle. I don't think NCI will return a file without the hydrogen atoms,
so... oh, wait, I know how to do it! Silly me!...
On Tue, Jul 26, 2011 at 10:19 AM, Paul Pillot <
[email protected]> wrote:
> Hi Bob,
> To have a nice drawing in chemdoodle you need to remove the H from Jmol. To
> do that I use the subset script command.
> subset not hydrogen; print write(\"mol\"); subset
> -Paul
>
--
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
------------------------------------------------------------------------------
Magic Quadrant for Content-Aware Data Loss Prevention
Research study explores the data loss prevention market. Includes in-depth
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evaluate the strengths and weaknesses of these DLP solutions.
http://www.accelacomm.com/jaw/sfnl/114/51385063/
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