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opsin

Open Parser for Systematic IUPAC Nomenclature. Chemical name to structure conversion

JavaEmerging

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8

Last push

7mo ago

Recent commits

Latest commits.

Improvements to the SMILESWriter
d2151abJohn Mayfield7mo ago
Added numbering to nicotine
5c95b8cDaniel Lowe7mo ago
Corrected method name
6ebbb68Daniel Lowe10mo ago
Include warnings on stderr when calling OPSIN from command-line
45c3eecDaniel Lowe12mo ago
Added unit test
cfdac8dDaniel Lowe15mo ago

Changed SMILES writer bond iteration order to process adjacent double bonds first

212e03bDaniel Lowe15mo ago

Added convenience method to flip value of SMILES_BOND_DIRECTION enum

d0b5c41Daniel Lowe16mo ago

Tidy/simplify code

801d20cDaniel Lowe16mo ago

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