Re: [Rdkit-discuss] smarts question

2021-06-02 Thread Greg Landrum
Hi Hao, The RDKit's extensions to SMARTS are documented here: https://www.rdkit.org/docs/RDKit_Book.html#smarts-support-and-extensions There is not an extension for "N_lp" and what the translation should be is VERY highly dependent on what the authors meant by "lone pair". For example: does the

[Rdkit-discuss] smarts question

2021-06-02 Thread hwang929
Hi, I'm a student from the school of chemistry and molecular engineering, East China Normal University. I have some questions about smarts. I used the self defined smart writing method in this article(Torsion Library Reloaded: A New Version of Expert-Derived SMARTS Rules for Assessing