- Dec 10, 2024
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Studer Gabriel authored
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- Aug 16, 2023
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Xavier Robin authored
This replaces the awkward FindCompound(... by=) which would return a single arbitrary compound.
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Xavier Robin authored
This allows preferentially picking a non-obsolete compound in FindCompound by="smiles/inchi"
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- Aug 15, 2023
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Xavier Robin authored
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- Jul 24, 2023
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Xavier Robin authored
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Xavier Robin authored
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- Feb 13, 2020
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Bienchen authored
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- Feb 26, 2016
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Bienchen authored
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- Mar 02, 2015
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Studer Gabriel authored
wrong branch, big sorry This reverts commit e77d08a6.
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Studer Gabriel authored
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- Feb 12, 2015
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Studer Gabriel authored
This reverts commit bf46ad1a. Conflicts: modules/conop/src/compound.hh modules/conop/src/compound_lib.cc
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- Sep 17, 2014
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BIOPZ-Johner Niklaus authored
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- May 30, 2013
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Gabriel Studer authored
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- May 27, 2013
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Gabriel Studer authored
not tested yet.
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- Sep 23, 2012
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Marco Biasini authored
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- Jul 13, 2012
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Andreas Schenk authored
fixed some DLLEXPORTs for exceptions based ost:Error on std::runtime_error (avoids string member in ost::Error)
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- Jun 27, 2012
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BIOPZ-Haas Juergen authored
BZDNG-336;adding creation date and version of OST used to create compound lib to compound lib;adding API to retrieve this information, calls: GetOSTVersionUsed() and GetCreationDate()
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- Jun 15, 2012
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BIOPZ-Haas Juergen authored
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- Oct 25, 2011
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Tobias Schmidt authored
-> you must recreate your compounds.chemlib database to activate this feature using the chemdict_tool
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- Jul 12, 2011
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Marco Biasini authored
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- Apr 07, 2011
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BIOPZ-Haas Juergen authored
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- Apr 03, 2011
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Marco Biasini authored
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- Feb 21, 2011
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Marco Biasini authored
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Marco Biasini authored
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Marco Biasini authored
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- Oct 06, 2010
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Marco Biasini authored
avoids dead-locking when several processes try to open the compound lib at the same time.
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- Feb 26, 2010
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marco authored
git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@1742 5a81b35b-ba03-0410-adc8-b2c5c5119f08
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