Hello,
I am interested in 2D structure diagram generation from atom connectivity,
as a part of LSD project (www.univ-reims.fr/LSD) for NMR-constrainted
structure generation
of small organic molecules.
I have seen in previous posts to this mailing list that
pybel.readstring("smi", "CCO").draw() would do the job for ethanol.
My questions are:
Which is the algorithms that works beyind the scenes? depict?
Which is the legal status of the algorithm?
I mean, is it free or is some kind of licence required?
In which language is the algorithm written?
Best regards,
Dr. Jean-Marc Nuzillard
Institute of Molecular Chemistry
CNRS UMR 6229
Moulin de la Housse
CPCBAI, Bâtiment 18
BP 1039
51687 REIMS Cedex 2
France
Tel : 33 3 26 91 82 10
Fax :33 3 26 91 35 96
http://www.univ-reims.fr/ICMR
http://www.univ-reims.fr/LSD/JmnSoft
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