Menu

#15 Atom expression fails for amidine in protonation model

open
SMARTS (6)
4
2005-01-27
2005-01-27
No

SMARTS parser fails for

#guanidine or amidine
# causes problem in SMARTS parser
#TRANSFORM [#6^2+0:1](=[N^2+0:2])(-[N^2]) >>
[#6+:1](=N-:2)(-N)

See also protonation model and tranformation rules in class
BasicTransformationRulesHolder

Discussion


Log in to post a comment.

Want the latest updates on software, tech news, and AI?
Get latest updates about software, tech news, and AI from SourceForge directly in your inbox once a month.