Re: [Rdkit-discuss] Advanced Substructure Matching question

2020-05-01 Thread Greg Landrum
Hi Adelene, The idea of that code is that it checks every atom in the sidechain attached at that point. So though atom number 4 itself is a C, the sidechain attached there contains a non-carbon atom (specifically atom 1) Does that make sense? -greg On Thu, Apr 30, 2020 at 7:02 PM Adelene LAI SH

[Rdkit-discuss] Advanced Substructure Matching question

2020-04-30 Thread Adelene LAI SHUEN LYN
Hello, I'm trying to understand the example below. https://www.rdkit.org/docs/GettingStartedInPython.html#advanced-substructure-matching Why is it when checking for "all_carbon" that the substructure with indices 6,11,17,5,4 is filtered out? Isn't atom 4 also a carbon? Or does it have som