Re: [Rdkit-discuss] generating scaffold trees

2017-03-31 Thread Markus Metz
Dear Axel and all: I have come across an older discussion about Ansgar Schuffenhauer's work on scaffolds: -- Axel Pahl

Re: [Rdkit-discuss] generating scaffold trees

2017-03-31 Thread Axel Pahl
Hi Markus, to my knowledge, there is no implementation in RDKit available yet. Kind regards, Axel On 31.03.2017 16:55, Markus Metz wrote: Dear Axel and all: I have come across an older discussion about Ansgar Schuffenhauer's work on scaffolds: ---

[Rdkit-discuss] NYC "RDKit Users and Learners" Meetup Monday, April 3, 7 PM at Hack Manhattan

2017-03-31 Thread Peter S. Shenkin
For more information, see: https://www.meetup.com/RDKit-Users-and-Learners/events/237963674/?rv=ce2&_af=event&_af_eid=237963674&https=on If you have RDKit-related work that you'd like to talk about or ask about, please let me know. -P.

[Rdkit-discuss] Beta of Q1 2017 release now up

2017-03-31 Thread Greg Landrum
[apologies for the date of this... it's not an April Fools joke] Dear all, I have tagged a beta of the next RDKit release here: https://github.com/rdkit/rdkit/releases/tag/Release_2017_03_1b1 The release notes are on the release page linked above. Note that the list of people in the acknowledgeme