Jennifer,
I knew this statement was out there. It took me a while to find the Web doc:
"public String JME.smiles()
returns a SMILES string of the current molecule(s) or reaction. For single
molecule without stereochemistry the SMILES is unique, unification is not yet
implemented for molecules
Jennifer,
You have to set SMILES settings in the JSME options part of your JSME set-up to
invoke stereochemistry and E/Z. This page explains all of the options and the
set up procedure:
http://peter-ertl.com/jsme/JSME_2015-06-14/doc.html
BUT, BUT, it looks like you are doing SMILES comparison
I’m not sure if this listserv is the proper place for me to ask this question,
but I’m not sure where else to ask. I’m using the JSME embedded within
Jmol/JSmol to let students practice reaction questions where they can draw
products. The ability to draw starting materials is currently in deve
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