Nico or Miguel, I can't find the info about substructure. One of you please
write something up and I will add it to the documentation.
Bob
Nicolas Vervelle wrote:
Miguel wrote:
- Nico sent you information about SUBSTRUCTURE. This is a powerful
mechanism to select substructures based upon SMILES syntax. It was not
documented in my BNF comments.
I used this link to develop the SMILES parser :
- http://www.daylight.com/smiles/ (especially the SMILES tutorial)
I think putting a link to such a page alongside an example of using
SUBSTRUCTURE would be useful.
If you need more infos for SUBSTRUCTURE, ask me, but it's really simple.
It just enables to select atoms verifying a SMILES pattern.
Nicolas
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