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mojaie / MolecularGraph.jl

Graph-based molecule modeling toolkit for cheminformatics
MIT License
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Gaps in allene-like double bonds #26

Closed mojaie closed 3 years ago

mojaie commented 3 years ago 
using MolecularGraph
mol = smilestomol("CCC=C=O")
molsvg = drawsvg(mol, 200, 200)
display("image/svg+xml",  molsvg)
スクリーンショット 2020-08-02 22 02 50
mojaie commented 3 years ago

Allene examples https://doi.org/10.1039/C6CC02316A https://doi.org/10.1038/s41467-018-07908-1

mojaie commented 3 years ago 
using MolecularGraph
mol = smilestomol("CCC=C=O")
molsvg = drawsvg(mol, 200, 200)
display("image/svg+xml",  molsvg)

スクリーンショット 2021-06-01 16 18 20