Hello,
Is it possible to write a single SMARTS for two separate patterns involving
a Boolean OR?
For example, I want to write a single SMARTS that can match the
patterns of
[C]-[C]
or
[N]-[N]
I realize that I could write something like
[C,N]-[C,N]
but that would also match "cross" patterns such as
CN and NC which I don't want.
I have tried to write
([C]-[C]), ([N\-[N]) but I have not been able to get that syntax or related
expressions (variations of parentheses, brackets, etc) to work.
Hence, if someone knows how to combine separate SMARTS expressions into
a single expression with a Boolean OR, I would be grateful. Thank you.
Regards,
Jim Metz
------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss