Re: [Rdkit-discuss] something new

2010-07-06 Thread Greg Landrum
Dear all, a followup from Andrew's message this weekend: On Sun, Jul 4, 2010 at 6:36 AM, Andrew Dalke da...@dalkescientific.com wrote: I run into problems because I have no postgresql contrib directory. Looking around, there's Postgres extension system called PGXS which is meant for

Re: [Rdkit-discuss] something new

2010-07-04 Thread Greg Landrum
Dear Adrian, On Sat, Jul 3, 2010 at 2:00 PM, Adrian Schreyer m...@adrianschreyer.eu wrote: I tried to install the cartridge today but I haven't been successful yet. After downloading and compiling the PostgreSQL 8.4.4 source I ran make in the contrib/rdkit directory, and this is the error I

Re: [Rdkit-discuss] something new

2010-07-04 Thread Greg Landrum
Hi Andrew, On Sun, Jul 4, 2010 at 6:36 AM, Andrew Dalke da...@dalkescientific.com wrote: On Jul 2, 2010, at 2:47 AM, Greg Landrum wrote: I'm really excited to announce the most recent contribution from Novartis to the RDKit: a cartridge for similarity searching in PostgeSQL. Thanks for

Re: [Rdkit-discuss] something new

2010-07-03 Thread Adrian Schreyer
Hi Greg, I tried to install the cartridge today but I haven't been successful yet. After downloading and compiling the PostgreSQL 8.4.4 source I ran make in the contrib/rdkit directory, and this is the error I got: gcc -O2 -Wall -Wpointer-arith -Wendif-labels -fno-strict-aliasing -fwrapv -fpic

Re: [Rdkit-discuss] something new

2010-07-03 Thread Andrew Dalke
On Jul 2, 2010, at 2:47 AM, Greg Landrum wrote: I'm really excited to announce the most recent contribution from Novartis to the RDKit: a cartridge for similarity searching in PostgeSQL. Thanks for doing this Greg, and thanks to the contributors from Novartis that you mentioned. Has anyone

[Rdkit-discuss] something new

2010-07-02 Thread Greg Landrum
Dear all, I'm really excited to announce the most recent contribution from Novartis to the RDKit: a cartridge for similarity searching in PostgeSQL. The cartridge supports Tanimoto and Dice similarity for both bitmap and count-vector fingerprints and currently supports RDKit, layered, morgan

Re: [Rdkit-discuss] something new

2010-07-02 Thread Riccardo Vianello
That's wonderful news. Congratulations and thank you and your colleagues for all this work. Regards, Riccardo -- This SF.net email is sponsored by Sprint What will you do first with EVO, the first 4G phone? Visit

Re: [Rdkit-discuss] something new

2010-07-02 Thread Adrian Schreyer
That's great news indeed Greg! I want to migrate from MySQL to PostgreSQL once version 9.0 is released and the rdkit cartridge will be very useful for my future work. SMARTS support would be great as well. Do you intend on adding things like MACCS keys and SMIRKS for transformations/reactions in

Re: [Rdkit-discuss] something new

2010-07-02 Thread Greg Landrum
Hi Adrian, On Fri, Jul 2, 2010 at 11:24 AM, Adrian Schreyer m...@adrianschreyer.eu wrote: That's great news indeed Greg! Thanks. I want to migrate from MySQL to PostgreSQL once version 9.0 is released and the rdkit cartridge will be very useful for my future work. yeah, I'm looking forward