Re: [Rdkit-discuss] Simple question about double bond stereo in molblock output

2020-12-29 Thread Adelene LAI
@lists.sourceforge.net Subject: [Rdkit-discuss] Simple question about double bond stereo in molblock output Dear All, I wonder if I can quickly sanity-check something(?). I have noticed that symmetrical double bonds output with a bond stereo setting of “3” (cis or trans (either) double bond

[Rdkit-discuss] Simple question about double bond stereo in molblock output

2020-12-22 Thread James Davidson
Dear All, I wonder if I can quickly sanity-check something(?). I have noticed that symmetrical double bonds output with a bond stereo setting of "3" (cis or trans (either) double bond) in the standard molblock output. Is this expected/intentional? I would have expected a setting of "0" (use