merkys / Chemistry-OpenSMILES

OpenSMILES format reader and writer

merkys/Chemistry-OpenSMILES Issues

Atoms of nonstandard valence are not put in square brackets
Updated 2 years ago
Test failure (with Graph 0.9721?)
Closed 3 years ago2
Detection of trivial tetrahedral chiral centers does not account for H atoms in square brackets
Closed 3 years ago1
Incorrect character position in error messages
Closed 3 years ago2
Improve error reporting
Updated 3 years ago
Nondeterministic tetrahedral chirality at anomeric centers in print
Updated 3 years ago2