merkys Chemistry-OpenSMILES issues - Githubissues

merkys / Chemistry-OpenSMILES

OpenSMILES format reader and writer

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Atoms of nonstandard valence are not put in square brackets

#6 merkys opened 1 year ago
0
Test failure (with Graph 0.9721?)

#5 eserte closed 3 years ago
2
Incorrect character position in error messages

#4 vaitkus closed 3 years ago
2
Improve error reporting

#3 merkys opened 3 years ago
0
Detection of trivial tetrahedral chiral centers does not account for H atoms in square brackets

#2 merkys closed 3 years ago
1
Nondeterministic tetrahedral chirality at anomeric centers in print

#1 merkys opened 3 years ago
2