Re: [Rdkit-discuss] GetSubstructMatches()

2013-08-23 Thread S.L. Chan
Indeed with the latest release there is no problem any more. Ling > > From: Greg Landrum >To: S.L. Chan >Cc: "rdkit-discuss@lists.sourceforge.net" > >Sent: Thursday, August 22, 2013 6:57 PM >Subject: Re: [Rdkit-discuss] GetSubstructMatches() > > > >Dear Lin

Re: [Rdkit-discuss] New MMFF-enabled RDKit branch

2013-08-23 Thread JP
Well done Paolo! During last year's UGM, when Greg asked for an RDKit wishlist from the audience, this functionality was suggested by more than one person. Thanks! JP On 23 August 2013 04:28, Greg Landrum wrote: > Thanks Paolo! > > I think it will be great for the RDKit to finally have a bett