Thread: [Rdkit-devel] rdkit.tanimoto_threshold
Open-Source Cheminformatics and Machine Learning
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From: Adrian S. <am...@ca...> - 2011-02-14 12:21:14
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I installed the latest version of the cartridge today and everything is working fine, except for the rdkit configuration parameters, which somehow disappeared after I restarted the server. All functions are working normally though, so the configuration must still be there. show rdkit.tanimoto_threshold; ERROR: unrecognized configuration parameter "rdkit.tanimoto_threshold" ********** Error ********** ERROR: unrecognized configuration parameter "rdkit.tanimoto_threshold" SQL state: 42704 Adrian |
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From: Greg L. <gre...@gm...> - 2011-02-14 12:58:55
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Adrian, the hack I use to get around this is to always start my connections with a "select 'c1ccccc1'::mol" After this (or any other call that uses the RDKit functions), the configuration parameters are visible. Not sure what causes this, but it would be a nice one to solve in a less hacky way. -greg On Mon, Feb 14, 2011 at 12:53 PM, Adrian Schreyer <am...@ca...> wrote: > I installed the latest version of the cartridge today and everything > is working fine, except for the rdkit configuration parameters, which > somehow disappeared after I restarted the server. All functions are > working normally though, so the configuration must still be there. > > show rdkit.tanimoto_threshold; > > ERROR: unrecognized configuration parameter "rdkit.tanimoto_threshold" > > ********** Error ********** > > ERROR: unrecognized configuration parameter "rdkit.tanimoto_threshold" > SQL state: 42704 > > Adrian > > ------------------------------------------------------------------------------ > The ultimate all-in-one performance toolkit: Intel(R) Parallel Studio XE: > Pinpoint memory and threading errors before they happen. > Find and fix more than 250 security defects in the development cycle. > Locate bottlenecks in serial and parallel code that limit performance. > http://p.sf.net/sfu/intel-dev2devfeb > _______________________________________________ > Rdkit-devel mailing list > Rdk...@li... > https://lists.sourceforge.net/lists/listinfo/rdkit-devel > |
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From: Uwe H. <uw...@fa...> - 2011-02-14 22:24:04
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Hi, Am Montag, den 14.02.2011, 13:58 +0100 schrieb Greg Landrum: > Adrian, > > the hack I use to get around this is to always start my connections > with a "select 'c1ccccc1'::mol" > > After this (or any other call that uses the RDKit functions), the > configuration parameters are visible. > > Not sure what causes this, but it would be a nice one to solve in a > less hacky way. > you can set shared_preload_libraries = 'rdkit' in postgresql.conf regards, Uwe |
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From: Adrian S. <ad...@sc...> - 2011-02-15 11:55:11
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Thanks Uwe, that did the trick. On Mon, Feb 14, 2011 at 22:23, Uwe Hoffmann <uw...@fa...> wrote: > Hi, > > Am Montag, den 14.02.2011, 13:58 +0100 schrieb Greg Landrum: >> Adrian, >> >> the hack I use to get around this is to always start my connections >> with a "select 'c1ccccc1'::mol" >> >> After this (or any other call that uses the RDKit functions), the >> configuration parameters are visible. >> >> Not sure what causes this, but it would be a nice one to solve in a >> less hacky way. >> > > you can set > shared_preload_libraries = 'rdkit' > in postgresql.conf > > regards, > Uwe > > > > ------------------------------------------------------------------------------ > The ultimate all-in-one performance toolkit: Intel(R) Parallel Studio XE: > Pinpoint memory and threading errors before they happen. > Find and fix more than 250 security defects in the development cycle. > Locate bottlenecks in serial and parallel code that limit performance. > http://p.sf.net/sfu/intel-dev2devfeb > _______________________________________________ > Rdkit-devel mailing list > Rdk...@li... > https://lists.sourceforge.net/lists/listinfo/rdkit-devel > |
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From: <gi...@gm...> - 2011-02-15 15:49:46
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On Mon, Feb 14, 2011 at 11:23 PM, Uwe Hoffmann <uw...@fa...> wrote: > > you can set > shared_preload_libraries = 'rdkit' > in postgresql.conf > I wanted to add this somewhere on the wiki, but could not find an obvious place to put it. Ideas? -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com/giallu |
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From: Adrian S. <ad...@sc...> - 2011-02-15 16:55:07
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I think the 'building the cartridge' section would be a good place. http://code.google.com/p/rdkit/wiki/BuildingTheCartridge On Tue, Feb 15, 2011 at 15:49, gi...@gm... <gi...@gm...> wrote: > On Mon, Feb 14, 2011 at 11:23 PM, Uwe Hoffmann <uw...@fa...> wrote: >> >> you can set >> shared_preload_libraries = 'rdkit' >> in postgresql.conf >> > > I wanted to add this somewhere on the wiki, but could not find an > obvious place to put it. Ideas? > > -- > Gianluca Sforna > > http://morefedora.blogspot.com > http://identi.ca/giallu - http://twitter.com/giallu > > ------------------------------------------------------------------------------ > The ultimate all-in-one performance toolkit: Intel(R) Parallel Studio XE: > Pinpoint memory and threading errors before they happen. > Find and fix more than 250 security defects in the development cycle. > Locate bottlenecks in serial and parallel code that limit performance. > http://p.sf.net/sfu/intel-dev2devfeb > _______________________________________________ > Rdkit-devel mailing list > Rdk...@li... > https://lists.sourceforge.net/lists/listinfo/rdkit-devel > |
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From: <gi...@gm...> - 2011-02-15 16:27:26
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On Tue, Feb 15, 2011 at 4:55 PM, Adrian Schreyer <ad...@sc...> wrote: > I think the 'building the cartridge' section would be a good place. > > http://code.google.com/p/rdkit/wiki/BuildingTheCartridge > Added in a new section, feel free to let me know if text could be improved. -- Gianluca Sforna http://morefedora.blogspot.com http://identi.ca/giallu - http://twitter.com/giallu |