Dear Andy,
Thank you for a quick and thorough email. I find it very instructional,
although I need to read it a couple times more to digest it.
Cheers,
Chenyang
On Wed, Nov 8, 2017 at 2:27 PM, Andrew Dalke
wrote:
> On Nov 8, 2017, at 21:00, Chenyang Shi wrote:
> > =C= : [CH0;A;X2;!R](=[$(*)])
On Nov 8, 2017, at 21:00, Chenyang Shi wrote:
> =C= : [CH0;A;X2;!R](=[$(*)])=[$(*)]
The recursive SMARTS notation, which is the term inside of the [$(...)], finds
a match for the entire pattern and returns the first atom in that pattern.
> For example, if I search "C=C=O" using "[CH0;A;X2;!R](
Dear RDKitters,
I have a question regarding SMARTS codes for three simple functional
groups, these are =C=, #CH and #C-. I am new to SMARTS/SMILES. I indeed
tried to guess their codes. Here are my guesses:
=C= : [CH0;A;X2;!R](=[$(*)])=[$(*)]
#CH : [CH1;A;X2;!R]#[$(*)]
#C- : [CH0;A;X2;!R]#[$(*)
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