Re: [Rdkit-discuss] chirality assignment

Rintarou, On Tue, Feb 7, 2017 at 9:25 AM, Suzuki, Rintarou wrote: > > For the second point, atoms 6 and 8 can be inverted by RDKit_2015_03_1. > > RDKit_2015_03_1 > - > >>>

Re: [Rdkit-discuss] chirality assignment

Hi Greg, Thanks for your quick response. I look forward to more flexible version of the command. For the second point, atoms 6 and 8 can be inverted by RDKit_2015_03_1. RDKit_2015_03_1 - >>>

[Rdkit-discuss] chirality assignment

Dear All, I'm generating conformation of a molecule: C1C2C3OC3C1C13OC21C1CC3C2OC21 This molecule has many chiral centers and 10 possible isomers. EmbedMolecule command of RDKit_2015_03_1 can generate every isomer but RDKit_2016_09_3 fails in 9 of 10. For example, RDKit_2015_03_1