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• • Re: [Cdk-user] SD file reader example in CTR Egon Willighagen
• [Cdk-user] InChIGeneratorFactory API Dmitry Katsubo
  • Re: [Cdk-user] InChIGeneratorFactory API Egon Willighagen
  • Re: [Cdk-user] InChIGeneratorFactory API Dmitry Katsubo
  • Re: [Cdk-user] InChIGeneratorFactory API Egon Willighagen
  • Re: [Cdk-user] Rendering disconnected structures (e.g. mixtures) Dmitry Katsubo
  • Re: [Cdk-user] Rendering disconnected structures (e.g. mixtures) gilleain torrance
  • Re: [Cdk-user] Rendering disconnected structures (e.g. mixtures) Nina Jeliazkova
• [Cdk-user] another CDK-JChemPaint patch (renderbasic) Egon Willighagen
  • Re: [Cdk-user] another CDK-JChemPaint patch (renderbasic) Rajarshi Guha
• [Cdk-user] Fwd: [Bioclipse-users] Add Molecular Volume Descriptor Egon Willighagen
  • Re: [Cdk-user] Fwd: [Bioclipse-users] Add Molecular Volume Descriptor Rajarshi Guha
• [Cdk-user] Highlighting substructure in JChemPaint Applet Thomas Strunz
• [Cdk-user] CDK development release 1.3.9: the changes, the authors, and the reviewers Egon Willighagen
• [Cdk-user] CDK stable 1.2.9: the changes, the authors, and the reviewers Egon Willighagen
• [Cdk-user] CDK package contains all dependant libraries, which cause a problem Dmitry Katsubo
  • Re: [Cdk-user] CDK package contains all dependant libraries, which cause a problem Nina Jeliazkova
  • Re: [Cdk-user] CDK package contains all dependant libraries, which cause a problem Egon Willighagen
  • Re: [Cdk-user] CDK package contains all dependant libraries, which cause a problem Nina Jeliazkova
  • Re: [Cdk-user] CDK package contains all dependant libraries, which cause a problem Egon Willighagen
  • Re: [Cdk-user] CDK package contains all dependant libraries, which cause a problem gilleain torrance
  • Re: [Cdk-user] CDK package contains all dependant libraries, which cause a problem Nina Jeliazkova
  • Re: [Cdk-user] CDK package contains all dependant libraries, which cause a problem Dmitry Katsubo
  • Re: [Cdk-user] CDK package contains all dependant libraries, which cause a problem Thomas Strunz
  • Re: [Cdk-user] CDK package contains all dependant libraries, which cause a problem Nina Jeliazkova
  • Re: [Cdk-user] CDK package contains all dependant libraries, which cause a problem Dmitry Katsubo
  • Re: [Cdk-user] CDK package contains all dependant libraries, which cause a problem Nina Jeliazkova
  • Re: [Cdk-user] CDK package contains all dependant libraries, which cause a problem Egon Willighagen
  • Re: [Cdk-user] CDK package contains all dependant libraries, which cause a problem Nina Jeliazkova
  • Re: [Cdk-user] CDK package contains all dependant libraries, which cause a problem Dmitry Katsubo
  • Re: [Cdk-user] CDK package contains all dependant libraries, which cause a problem Egon Willighagen
  • Re: [Cdk-user] CDK package contains all dependant libraries, which cause a problem Egon Willighagen
  • Re: [Cdk-user] CDK package contains all dependant libraries, which cause a problem Nina Jeliazkova
  • Re: [Cdk-user] CDK package contains all dependant libraries, which cause a problem Nina Jeliazkova
• [Cdk-user] getting started with cdk Ed Barker
  • Re: [Cdk-user] getting started with cdk Jules Kerssemakers
  • Re: [Cdk-user] getting started with cdk Egon Willighagen
• [Cdk-user] about structure searching 韓羽晨
  • Re: [Cdk-user] about structure searching Duan Lian
  • Re: [Cdk-user] about structure searching 韓羽晨
  • Re: [Cdk-user] about structure searching Thomas Strunz
• Re: [Cdk-user] Cdk-user Digest, Vol 59, Issue 1 Syed Asad Rahman
• [Cdk-user] Sort atom types in IAtomContainer Julio Peironcely
  • Re: [Cdk-user] Sort atom types in IAtomContainer gilleain torrance
• [Cdk-user] CDKConstants.visited flag returns true after smarts searching of cyclic species Nick Vandewiele
  • Re: [Cdk-user] CDKConstants.visited flag returns true after smarts searching of cyclic species Rajarshi Guha
  • Re: [Cdk-user] CDKConstants.visited flag returns true after smarts searching of cyclic species Egon Willighagen
• [Cdk-user] CDK 1.2.8 released Egon Willighagen
• Re: [Cdk-user] [Cdk-devel] PDBReader changes : Ok, what now? Egon Willighagen
• [Cdk-user] Algorithm help Desmond Lim
  • Re: [Cdk-user] Algorithm help Jules Kerssemakers
  • Re: [Cdk-user] Algorithm help gilleain torrance
  • Re: [Cdk-user] Algorithm help Egon Willighagen
  • Re: [Cdk-user] Algorithm help Egon Willighagen
  • Re: [Cdk-user] Algorithm help Jules Kerssemakers
• [Cdk-user] SMILES Test Syed Asad Rahman
  • Re: [Cdk-user] SMILES Test Egon Willighagen
  • [Cdk-user] SMILES Test Syed Asad Rahman
  • Re: [Cdk-user] SMILES Test Egon Willighagen
  • Re: [Cdk-user] SMILES Test Syed Asad Rahman
• [Cdk-user] jcall error in rcdk Hassan Thomas Mamdani
  • Re: [Cdk-user] jcall error in rcdk Rajarshi Guha
  • Re: [Cdk-user] jcall error in rcdk Hassan Thomas Mamdani
• [Cdk-user] Properties not read with MDLV2000Reader ? Vincent Le Guilloux
  • Re: [Cdk-user] Properties not read with MDLV2000Reader ? Egon Willighagen
  • Re: [Cdk-user] Properties not read with MDLV2000Reader ? Jules Kerssemakers
  • Re: [Cdk-user] Properties not read with MDLV2000Reader ? Egon Willighagen
  • Re: [Cdk-user] Properties not read with MDLV2000Reader ? Egon Willighagen
  • Re: [Cdk-user] Properties not read with MDLV2000Reader ? Vincent Le Guilloux
  • Re: [Cdk-user] Properties not read with MDLV2000Reader ? Egon Willighagen
  • Re: [Cdk-user] Properties not read with MDLV2000Reader ? Vincent Le Guilloux
  • Re: [Cdk-user] Properties not read with MDLV2000Reader ? Jules Kerssemakers
  • Re: [Cdk-user] Properties not read with MDLV2000Reader ? Egon Willighagen
  • Re: [Cdk-user] Properties not read with MDLV2000Reader ? Egon Willighagen
  • Re: [Cdk-user] Properties not read with MDLV2000Reader ? Nina Jeliazkova
  • Re: [Cdk-user] Properties not read with MDLV2000Reader ? Egon Willighagen
  • Re: [Cdk-user] Properties not read with MDLV2000Reader ? Nina Jeliazkova
• [Cdk-user] CDK-JMol Adapter Thorsten Meinl
  • Re: [Cdk-user] CDK-JMol Adapter Egon Willighagen
  • Re: [Cdk-user] CDK-JMol Adapter Nina Jeliazkova
• [Cdk-user] Status of PDBReader and related Andreas Schueller
  • Re: [Cdk-user] Status of PDBReader and related gilleain torrance
• Re: [Cdk-user] Cdk-user Digest, Vol 58, Issue 3 Syed Asad Rahman
• Re: [Cdk-user] Cdk-user Digest, Vol 58, Issue 1 Syed Asad Rahman
  • Re: [Cdk-user] Cdk-user Digest, Vol 58, Issue 1 Egon Willighagen
  • Re: [Cdk-user] Cdk-user Digest, Vol 58, Issue 1 Nina Jeliazkova
• [Cdk-user] Isomorhism and MolHandler: removeHydrogen flag issue/bug Thomas Strunz
  • Re: [Cdk-user] Isomorhism and MolHandler: removeHydrogen flag issue/bug Nina Jeliazkova
  • Re: [Cdk-user] Isomorhism and MolHandler: removeHydrogen flag issue/bug Egon Willighagen
  • Re: [Cdk-user] Isomorhism and MolHandler: removeHydrogen flag issue/bug gilleain torrance
  • Re: [Cdk-user] Isomorhism and MolHandler: removeHydrogen flag issue/bug Thomas Strunz
• [Cdk-user] working on CDK Priyanka Shah
  • Re: [Cdk-user] working on CDK Egon Willighagen
  • Re: [Cdk-user] working on CDK Alireza Kashani
  • Re: [Cdk-user] working on CDK Egon Willighagen
  • Re: [Cdk-user] working on CDK Alireza Kashani
  • Re: [Cdk-user] working on CDK Thomas Strunz
  • Re: [Cdk-user] working on CDK Egon Willighagen
  • Re: [Cdk-user] working on CDK Alireza Kashani
  • Re: [Cdk-user] working on CDK Egon Willighagen
• [Cdk-user] advertising job ads where the job description involves the CDK (development or use) Egon Willighagen
• Re: [Cdk-user] isomorphism test with inchi comparison instead of MCS? gilleain torrance
• [Cdk-user] isomorphism test with inchi comparison instead of MCS? Nick Vandewiele
• [Cdk-user] changing java parameter from rcdk Alireza Kashani
  • Re: [Cdk-user] changing java parameter from rcdk Rajarshi Guha
• [Cdk-user] what the CDK really needs... Egon Willighagen
• [Cdk-user] Descriptor calculation help hari jayaram
  • Re: [Cdk-user] Descriptor calculation help Thomas Strunz
  • Re: [Cdk-user] Descriptor calculation help hari jayaram
  • Re: [Cdk-user] Descriptor calculation help hari jayaram
  • Re: [Cdk-user] Descriptor calculation help Rajarshi Guha
  • Re: [Cdk-user] Descriptor calculation help hari jayaram
  • Re: [Cdk-user] Descriptor calculation help Rajarshi Guha
  • Re: [Cdk-user] Descriptor calculation help hari jayaram
  • Re: [Cdk-user] Descriptor calculation help Thomas Strunz
  • Re: [Cdk-user] Descriptor calculation help Thomas Strunz
• [Cdk-user] createChiralSmiles() Nina Jeliazkova
• [Cdk-user] memory space for one CDK Molecule? Nick Vandewiele
  • Re: [Cdk-user] memory space for one CDK Molecule? Christoph Steinbeck
• [Cdk-user] Rendering a molecule produces only one atom Dmitry Katsubo
  • Re: [Cdk-user] Rendering a molecule produces only one atom Jules Kerssemakers
  • Re: [Cdk-user] Rendering a molecule produces only one atom Dmitry Katsubo
  • Re: [Cdk-user] Rendering a molecule produces only one atom gilleain torrance
  • Re: [Cdk-user] zoom vs scale Dmitry Katsubo
  • Re: [Cdk-user] zoom vs scale Egon Willighagen
• [Cdk-user] extract substructure from molecule by specifying the atom numbers? Nick Vandewiele
  • Re: [Cdk-user] extract substructure from molecule by specifying the atom numbers? Nick Vandewiele
• [Cdk-user] rCDK error in Jcall "IChemObjectBuilder" Alireza Kashani
  • Re: [Cdk-user] rCDK error in Jcall "IChemObjectBuilder" Rajarshi Guha
  • Re: [Cdk-user] rCDK error in Jcall "IChemObjectBuilder" Alireza Kashani
• [Cdk-user] CDK in maven Dmitry Katsubo
• [Cdk-user] changelogs for CDK 1.3.7 and 1.3.8 Egon Willighagen
• [Cdk-user] Final call for review: 1. DeduceBondSystem, 2. new JChemPaint rendering API Egon Willighagen
  • Re: [Cdk-user] Final call for review: 1. DeduceBondSystem, 2. new JChemPaint rendering API Egon Willighagen
• [Cdk-user] Regarding "IAtom is not typed! S" ERROR Srikant Verma
  • Re: [Cdk-user] Regarding "IAtom is not typed! S" ERROR Egon Willighagen
• [Cdk-user] remove a specific SingleElectron from Molecule Nick Vandewiele
• Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Thomas Strunz
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Jules Kerssemakers
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Thomas Strunz
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Nina Jeliazkova
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Thomas Strunz
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Jules Kerssemakers
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Thomas Strunz
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Christoph Steinbeck
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Thomas Strunz
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Egon Willighagen
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Thomas Strunz
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class markr
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class markr
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Nina Jeliazkova
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class markr
• [Cdk-user] class file has wrong version Xin Gong
  • Re: [Cdk-user] class file has wrong version Nina Jeliazkova
  • [Cdk-user] cdk-jchempaint source code Xin Gong
  • Re: [Cdk-user] cdk-jchempaint source code Egon Willighagen
• [Cdk-user] Fingerprinter, UnversialIsomorphismTester and Stereochemistry Thomas Strunz
  • Re: [Cdk-user] Fingerprinter, UnversialIsomorphismTester and Stereochemistry Rajarshi Guha
• [Cdk-user] update on patch review policy Egon Willighagen
• Re: [Cdk-user] How is stereo info stored in CDK object after parsing InChI or SMILES? Egon Willighagen
• [Cdk-user] cis/trans perception of SMILES pry
  • Re: [Cdk-user] cis/trans perception of SMILES Egon Willighagen
• [Cdk-user] PAPER: The SMARTCyp cytochrome P450 metabolism prediction server pry
  • Re: [Cdk-user] PAPER: The SMARTCyp cytochrome P450 metabolism prediction server Egon Willighagen
  • Re: [Cdk-user] PAPER: The SMARTCyp cytochrome P450 metabolism prediction server Patrik Rydberg
• [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Thomas Strunz
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Rajarshi Guha
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Thomas Strunz
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Nina Jeliazkova
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Thomas Strunz
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Rajarshi Guha
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Nina Jeliazkova
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Jules Kerssemakers
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Thomas Strunz
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Jules Kerssemakers
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Thomas Strunz
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Nina Jeliazkova
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Thomas Strunz
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Nina Jeliazkova
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Thomas Strunz
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class nlskrg
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Nina Jeliazkova
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Thomas Strunz
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Nina Jeliazkova
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Thomas Strunz
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Nina Jeliazkova
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Jules Kerssemakers
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Thomas Strunz
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Nina Jeliazkova
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Thomas Strunz
  • Re: [Cdk-user] Substructure Searching, Fingerprints and cdk-1.3.7 Isomorphism Class Rajarshi Guha
• [Cdk-user] logging disabled with cdk-1.3.7 Thomas Strunz
  • Re: [Cdk-user] logging disabled with cdk-1.3.7 Egon Willighagen
  • Re: [Cdk-user] logging disabled with cdk-1.3.7 Thomas Strunz
  • Re: [Cdk-user] logging disabled with cdk-1.3.7 Egon Willighagen
  • Re: [Cdk-user] logging disabled with cdk-1.3.7 Thomas Strunz
  • Re: [Cdk-user] logging disabled with cdk-1.3.7 Egon Willighagen
• Re: [Cdk-user] CDK Developer Egon Willighagen
  • Re: [Cdk-user] CDK Developer Egon Willighagen
• [Cdk-user] PAPER: A tree-based method for the rapid screening of chemical fingerprints Thomas G. Kristensen

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