Re: [Rdkit-discuss] Bug in ResonanceMolSupplier?

2024-03-19 Thread Paolo Tosco
Dear Jan, Definitely it is a bug. I’ll try and fix it for the next release which is due in ~2 weeks. Thanks for reporting, cheers Paolo > On 19 Mar 2024, at 11:20, Jan Halborg Jensen wrote: > > Why does ResonanceMolSupplier only give me one resonance structure for > O[NH+]=[C-]NC when

[Rdkit-discuss] Bug in ResonanceMolSupplier?

2024-03-19 Thread Jan Halborg Jensen
Why does ResonanceMolSupplier only give me one resonance structure for O[NH+]=[C-]NC when O[NH+]=[CH]NC gives me two structures? Is that a bug? Best regards, Jan ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net