Re: [Rdkit-discuss] rearomatize only benzene rigns after kekulize + clearAromaticFlags

Guillaume, Here's how to read in a molecule and skip aromaticity perception: In [12]: m = Chem.MolFromSmiles('c1c1-c1cccnc1-c1cc[nH]c1',sanitize=False) In [13]: Chem.SanitizeMol(m,sanitizeOps=Chem.SANITIZE_ALL^Chem.SANITIZE_SETAROMATICITY) Out[13]: rdkit.Chem.rdmolops.SanitizeFlags.SANITIZE_

[Rdkit-discuss] 2012 UGM slide link broken?

Hi, I tried to download JP Ebejer's conformer generation using RDKit deck but this link appears to be broken. http://rdkit.org/UGM/2012/Ebejer_20110926_RDKit_1stUGM.pdf Would you mind moving these slides to github.org? Thanks, JW ___ JW Feng, Ph.D. Denali Therapeutics Inc. 151

Re: [Rdkit-discuss] 2012 UGM slide link broken?

Hi, Can you please try again? The link works fine for me. -greg On Wed, Sep 21, 2016 at 12:09 AM, JW Feng wrote: > Hi, > > I tried to download JP Ebejer's conformer generation using RDKit deck but > this link appears to be broken. http://rdkit.org/UGM/2012/ > Ebejer_20110926_RDKit_1stUGM.pd

Re: [Rdkit-discuss] 2012 UGM slide link broken?

Works from home but didn't work while I was in the office. Thanks for checking. JW > On Sep 20, 2016, at 7:45 PM, Greg Landrum wrote: > > Hi, > > Can you please try again? The link works fine for me. > > -greg > > >> On Wed, Sep 21, 2016 at 12:09 AM, JW Feng wrote: >> Hi, >> >> I trie