Re: [Open Babel] search a fastsearch database

2013-09-25 Thread Brian Moldover
to:jeff.ja...@gmail.com] Sent: Tuesday, September 24, 2013 10:47 PM To: Brian Moldover Cc: openbabel-discuss@lists.sourceforge.net Subject: Re: [Open Babel] search a fastsearch database On Tue, Sep 24, 2013 at 7:26 PM, Brian Moldover wrote: I have what might be a silly (i.e. it's late) q

Re: [Open Babel] search a fastsearch database

2013-09-25 Thread Brian Moldover
il.com] Sent: Tuesday, September 24, 2013 10:47 PM To: Brian Moldover Cc: openbabel-discuss@lists.sourceforge.net Subject: Re: [Open Babel] search a fastsearch database On Tue, Sep 24, 2013 at 7:26 PM, Brian Moldover wrote: I have what might be a silly (i.e. it's late) question. I cr

Re: [Open Babel] search a fastsearch database

2013-09-24 Thread Jeff Janes
On Tue, Sep 24, 2013 at 7:26 PM, Brian Moldover wrote: > I have what might be a silly (i.e. it’s late) question. > > ** ** > > I created a fastsearch database of ~1 million structures to get tanimoto > scores against a single structure. The results look like: > Tanimoto from > first mol =