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• • Re: [Cdk-user] [Cdk-devel] CDK III paper: software using CDK 1.4 or 1.5? jay patel
• [Cdk-user] Reaction Agents John M
  • Re: [Cdk-user] [Cdk-devel] Reaction Agents Egon Willighagen
• [Cdk-user] Resonance isomers - Aromatic species Florence Vermeire
  • Re: [Cdk-user] Resonance isomers - Aromatic species John M
• [Cdk-user] PDB reading (repost) Tim Dudgeon
  • Re: [Cdk-user] PDB reading (repost) John M
  • Re: [Cdk-user] PDB reading (repost) Tim Dudgeon
• [Cdk-user] Reading Mol2 format Tim Dudgeon
  • Re: [Cdk-user] Reading Mol2 format John M
  • Re: [Cdk-user] Reading Mol2 format Tim Dudgeon
  • Re: [Cdk-user] Reading Mol2 format John M
  • Re: [Cdk-user] Reading Mol2 format Tim Dudgeon
  • Re: [Cdk-user] Reading Mol2 format John M
  • Re: [Cdk-user] Reading Mol2 format John M
  • Re: [Cdk-user] Reading Mol2 format Tim Dudgeon
  • Re: [Cdk-user] Reading Mol2 format John M
  • Re: [Cdk-user] Reading Mol2 format Tim Dudgeon
  • Re: [Cdk-user] Reading Mol2 format John M
• [Cdk-user] Structure 2D Layout: generateExperimentalCoordinates John M
  • Re: [Cdk-user] Structure 2D Layout: generateExperimentalCoordinates Egon Willighagen
  • Re: [Cdk-user] Structure 2D Layout: generateExperimentalCoordinates Christoph Steinbeck
• [Cdk-user] DepictionGenerator - changing Visibility properties Nikita Kozhukhov
  • Re: [Cdk-user] DepictionGenerator - changing Visibility properties John M
• [Cdk-user] Handling PDB files Tim Dudgeon
• [Cdk-user] Exception in thread "main" java.lang.UnsupportedOperationException for SubstructureFingerprinter.getCountFingerprint() Yannick .Djoumbou
  • Re: [Cdk-user] Exception in thread "main" java.lang.UnsupportedOperationException for SubstructureFingerprinter.getCountFingerprint() John M
  • Re: [Cdk-user] Exception in thread "main" java.lang.UnsupportedOperationException for SubstructureFingerprinter.getCountFingerprint() Yannick .Djoumbou
  • Re: [Cdk-user] Exception in thread "main" java.lang.UnsupportedOperationException for SubstructureFingerprinter.getCountFingerprint() John M
  • Re: [Cdk-user] Exception in thread "main" java.lang.UnsupportedOperationException for SubstructureFingerprinter.getCountFingerprint() Yannick .Djoumbou
• [Cdk-user] [URGENT] Help needed for processing of aromatic compounds and Structure Search Yannick .Djoumbou
  • Re: [Cdk-user] [URGENT] Help needed for processing of aromatic compounds and Structure Search John M
  • Re: [Cdk-user] [URGENT] Help needed for processing of aromatic compounds and Structure Search Yannick .Djoumbou
  • Re: [Cdk-user] [URGENT] Help needed for processing of aromatic compounds and Structure Search John M
  • Re: [Cdk-user] [URGENT] Help needed for processing of aromatic compounds and Structure Search Yannick .Djoumbou
  • Re: [Cdk-user] [URGENT] Help needed for processing of aromatic compounds and Structure Search Yannick .Djoumbou
  • Re: [Cdk-user] [URGENT] Help needed for processing of aromatic compounds and Structure Search John M
• [Cdk-user] Interest in metabolic reaction depictions. John M
  • Re: [Cdk-user] Interest in metabolic reaction depictions. John M
  • Re: [Cdk-user] Interest in metabolic reaction depictions. Christoph Steinbeck
  • Re: [Cdk-user] Interest in metabolic reaction depictions. Egon Willighagen
• [Cdk-user] CDK halouma nice
• Re: [Cdk-user] create amino acide John M
  • Re: [Cdk-user] create amino acide Egon Willighagen
  • Re: [Cdk-user] create amino acide John M
  • Re: [Cdk-user] create amino acide hanouna nouna
  • Re: [Cdk-user] create amino acide John M
  • Re: [Cdk-user] create amino acide John M
  • Re: [Cdk-user] create amino acide hanouna nouna
  • Re: [Cdk-user] create amino acide John M
  • Re: [Cdk-user] create amino acide hanouna nouna
  • Re: [Cdk-user] create amino acide John M
• [Cdk-user] Issues regarding SubstructureFingerprinter. Patterns not found Yannick .Djoumbou
  • Re: [Cdk-user] Issues regarding SubstructureFingerprinter. Patterns not found John M
  • Re: [Cdk-user] Issues regarding SubstructureFingerprinter. Patterns not found John M
• Re: [Cdk-user] Cdk-user Digest, Vol 116, Issue 3 hanouna nouna
• [Cdk-user] CDK Release 1.5.14 John M
  • Re: [Cdk-user] [Cdk-devel] CDK Release 1.5.14 Egon Willighagen
• [Cdk-user] instalation of cdk hanouna nouna
• Re: [Cdk-user] probleme of instalation of cdk jay patel
  • Re: [Cdk-user] probleme of instalation of cdk hanouna nouna
  • Re: [Cdk-user] probleme of instalation of cdk hanouna nouna
  • Re: [Cdk-user] probleme of instalation of cdk jay patel
• [Cdk-user] how to ask a question hanouna nouna
• [Cdk-user] my email hanouna nouna
• [Cdk-user] Reaction depiction Scooter Morris
  • Re: [Cdk-user] Reaction depiction John M
  • Re: [Cdk-user] Reaction depiction John M
  • Re: [Cdk-user] Reaction depiction John M
  • Re: [Cdk-user] Reaction depiction Scooter Morris
• [Cdk-user] Two Google Summer of Code projects related to the CDK Egon Willighagen
  • Re: [Cdk-user] [BlueObelisk-discuss] Two Google Summer of Code projects related to the CDK Geoffrey Hutchison
  • Re: [Cdk-user] [BlueObelisk-discuss] Two Google Summer of Code projects related to the CDK Egon Willighagen
  • Re: [Cdk-user] [BlueObelisk-discuss] Two Google Summer of Code projects related to the CDK Greg Landrum
  • Re: [Cdk-user] [BlueObelisk-discuss] Two Google Summer of Code projects related to the CDK Egon Willighagen
  • Re: [Cdk-user] [BlueObelisk-discuss] Two Google Summer of Code projects related to the CDK Robert Hanson
• [Cdk-user] java.lang.NullPointerException occur when calculating numerical surface with cdk for some molecules Zheng Shi
  • Re: [Cdk-user] java.lang.NullPointerException occur when calculating numerical surface with cdk for some molecules Rajarshi Guha
  • Re: [Cdk-user] java.lang.NullPointerException occur when calculating numerical surface with cdk for some molecules Zheng Shi
  • Re: [Cdk-user] java.lang.NullPointerException occur when calculating numerical surface with cdk for some molecules Rajarshi Guha
  • Re: [Cdk-user] java.lang.NullPointerException occur when calculating numerical surface with cdk for some molecules Yannick .Djoumbou
  • Re: [Cdk-user] java.lang.NullPointerException occur when calculating numerical surface with cdk for some molecules Rajarshi Guha
  • Re: [Cdk-user] java.lang.NullPointerException occur when calculating numerical surface with cdk for some molecules Yannick .Djoumbou
• [Cdk-user] Clarification about LargestChainDescriptor behavior Giovanni Cincilla
  • Re: [Cdk-user] Clarification about LargestChainDescriptor behavior John M
  • Re: [Cdk-user] Clarification about LargestChainDescriptor behavior Rajarshi Guha
  • Re: [Cdk-user] Clarification about LargestChainDescriptor behavior Giovanni Cincilla
  • Re: [Cdk-user] Clarification about LargestChainDescriptor behavior Rajarshi Guha
  • Re: [Cdk-user] Clarification about LargestChainDescriptor behavior Rajarshi Guha
  • Re: [Cdk-user] Clarification about LargestChainDescriptor behavior John M
  • Re: [Cdk-user] Clarification about LargestChainDescriptor behavior Rajarshi Guha
  • Re: [Cdk-user] Clarification about LargestChainDescriptor behavior John M
  • Re: [Cdk-user] Clarification about LargestChainDescriptor behavior Rajarshi Guha
  • Re: [Cdk-user] Clarification about LargestChainDescriptor behavior Giovanni Cincilla
  • [Cdk-user] Fwd: Clarification about LargestChainDescriptor behavior John M
  • Re: [Cdk-user] Clarification about LargestChainDescriptor behavior Giovanni Cincilla
  • Re: [Cdk-user] Clarification about LargestChainDescriptor behavior Giovanni Cincilla
  • Re: [Cdk-user] Clarification about LargestChainDescriptor behavior Rajarshi Guha
  • Re: [Cdk-user] Clarification about LargestChainDescriptor behavior Giovanni Cincilla
  • Re: [Cdk-user] Clarification about LargestChainDescriptor behavior John M
  • Re: [Cdk-user] Clarification about LargestChainDescriptor behavior Giovanni Cincilla
  • Re: [Cdk-user] Clarification about LargestChainDescriptor behavior John M
• [Cdk-user] Writing SMARTS cruttkie
  • Re: [Cdk-user] Writing SMARTS John M
  • Re: [Cdk-user] Writing SMARTS cruttkie
• [Cdk-user] ICountFingerprint usage question Nina Jeliazkova
  • Re: [Cdk-user] ICountFingerprint usage question John M
  • Re: [Cdk-user] ICountFingerprint usage question Nina Jeliazkova
  • Re: [Cdk-user] ICountFingerprint usage question John M
  • Re: [Cdk-user] ICountFingerprint usage question Nina Jeliazkova
  • Re: [Cdk-user] ICountFingerprint usage question John M
  • Re: [Cdk-user] [Cdk-devel] ICountFingerprint usage question Syed Asad Rahman
• [Cdk-user] DepictionGenerator - unregistered generator? Tim Dudgeon
  • Re: [Cdk-user] DepictionGenerator - unregistered generator? John M
  • Re: [Cdk-user] DepictionGenerator - unregistered generator? Tim Dudgeon
  • Re: [Cdk-user] DepictionGenerator - unregistered generator? John M
  • Re: [Cdk-user] DepictionGenerator - unregistered generator? Tim Dudgeon
  • Re: [Cdk-user] DepictionGenerator - unregistered generator? John M
  • Re: [Cdk-user] DepictionGenerator - unregistered generator? Tim Dudgeon
  • Re: [Cdk-user] DepictionGenerator - unregistered generator? John M
• [Cdk-user] Hydrogen display with DepictionGenerator Tim Dudgeon
  • Re: [Cdk-user] Hydrogen display with DepictionGenerator John M
  • Re: [Cdk-user] Hydrogen display with DepictionGenerator Tim Dudgeon
  • Re: [Cdk-user] Hydrogen display with DepictionGenerator John M
  • Re: [Cdk-user] Hydrogen display with DepictionGenerator Tim Dudgeon
  • Re: [Cdk-user] Hydrogen display with DepictionGenerator John M
• [Cdk-user] inconsistency in ready molfiles Tim Dudgeon
  • Re: [Cdk-user] inconsistency in ready molfiles John M
  • Re: [Cdk-user] inconsistency in ready molfiles Egon Willighagen
  • Re: [Cdk-user] inconsistency in ready molfiles Tim Dudgeon
• Re: [Cdk-user] computing numerical surface for molecules whose atoms don't have any coordinates using CDK Rajarshi Guha
• [Cdk-user] SDFile Renderer Felix Bänsch
  • Re: [Cdk-user] SDFile Renderer John M
  • Re: [Cdk-user] SDFile Renderer John M
  • Re: [Cdk-user] SDFile Renderer John M
  • Re: [Cdk-user] SDFile Renderer John M
• [Cdk-user] CDK code migration guides Egon Willighagen
• [Cdk-user] Preserving public API John M
  • Re: [Cdk-user] [Cdk-devel] Preserving public API Egon Willighagen
  • Re: [Cdk-user] [Cdk-devel] Preserving public API Rajarshi Guha
  • Re: [Cdk-user] [Cdk-devel] Preserving public API Egon Willighagen
  • Re: [Cdk-user] [Cdk-devel] Preserving public API Rajarshi Guha
• [Cdk-user] Free (old) copy of Groovy Cheminformatics with the CDK Egon Willighagen
• [Cdk-user] Dear CDK, QUESTIONS of standard data set to evaluate ligand-based models 杜宇
  • Re: [Cdk-user] Dear CDK, QUESTIONS of standard data set to evaluate ligand-based models Egon Willighagen
  • Re: [Cdk-user] Dear CDK, QUESTIONS of standard data set to evaluate ligand-based models Du, Yu
• [Cdk-user] CDK Release 1.5.12 John M
• [Cdk-user] canonical chiral smiles with free electron pair Lina Humbeck
  • Re: [Cdk-user] canonical chiral smiles with free electron pair John M
  • Re: [Cdk-user] canonical chiral smiles with free electron pair Lina Humbeck
  • Re: [Cdk-user] canonical chiral smiles with free electron pair John M
  • Re: [Cdk-user] canonical chiral smiles with free electron pair John M
• [Cdk-user] absolute smiles error? Martin Gütlein
  • Re: [Cdk-user] absolute smiles error? John M
• [Cdk-user] unsubscribe Mark Southern
• [Cdk-user] Feedback about CDK 1.4 to 1.5 Migration Till Schäfer
  • Re: [Cdk-user] Feedback about CDK 1.4 to 1.5 Migration Egon Willighagen
• [Cdk-user] retain unfilled valences Martin Gütlein
  • Re: [Cdk-user] retain unfilled valences John M
  • Re: [Cdk-user] retain unfilled valences Martin Gütlein
• [Cdk-user] no aromaticity detected for compound O=s1cncc1 Martin Gütlein
  • Re: [Cdk-user] no aromaticity detected for compound O=s1cncc1 John M
  • Re: [Cdk-user] no aromaticity detected for compound O=s1cncc1 Martin Gütlein
  • Re: [Cdk-user] no aromaticity detected for compound O=s1cncc1 John M
• [Cdk-user] Fingerprints in 1.4 und 1.5 Till Schäfer
  • Re: [Cdk-user] Fingerprints in 1.4 und 1.5 Egon Willighagen
  • Re: [Cdk-user] Fingerprints in 1.4 und 1.5 Till Schäfer
  • Re: [Cdk-user] Fingerprints in 1.4 und 1.5 Till Schäfer
  • Re: [Cdk-user] Fingerprints in 1.4 und 1.5 Egon Willighagen
  • Re: [Cdk-user] Fingerprints in 1.4 und 1.5 John M
  • Re: [Cdk-user] Fingerprints in 1.4 und 1.5 Egon Willighagen
• [Cdk-user] CDK Depict John M
  • Re: [Cdk-user] CDK Depict Ola Spjuth
  • Re: [Cdk-user] CDK Depict Rajarshi Guha
  • Re: [Cdk-user] CDK Depict Christoph Steinbeck
  • Re: [Cdk-user] CDK Depict Egon Willighagen
  • Re: [Cdk-user] CDK Depict Christoph Steinbeck
  • Re: [Cdk-user] CDK Depict John May
  • Re: [Cdk-user] CDK Depict Egon Willighagen
  • Re: [Cdk-user] CDK Depict John M
  • Re: [Cdk-user] CDK Depict Rajarshi Guha
• [Cdk-user] Deprotonation of Carboxylic Acids Schmid Emanuel (ID SIS)
  • Re: [Cdk-user] Deprotonation of Carboxylic Acids Martin Gütlein
  • Re: [Cdk-user] Deprotonation of Carboxylic Acids Martin Gütlein
  • Re: [Cdk-user] Deprotonation of Carboxylic Acids Martin Gütlein
  • Re: [Cdk-user] Deprotonation of Carboxylic Acids Martin Gütlein
• [Cdk-user] Molecule Validation Schmid Emanuel (ID SIS)
  • Re: [Cdk-user] Molecule Validation John M
  • Re: [Cdk-user] Molecule Validation Schmid Emanuel (ID SIS)
• [Cdk-user] molfile Sgroups John M
  • Re: [Cdk-user] [Cdk-devel] molfile Sgroups Syed Asad Rahman
• [Cdk-user] inchi conversion changes compound Martin Gütlein
  • Re: [Cdk-user] inchi conversion changes compound John M
  • Re: [Cdk-user] inchi conversion changes compound John M
  • Re: [Cdk-user] inchi conversion changes compound John M
  • Re: [Cdk-user] inchi conversion changes compound Martin Gütlein
  • Re: [Cdk-user] inchi conversion changes compound John M
• [Cdk-user] CDK 1.5.11 John M
• Re: [Cdk-user] [cdk:bugs] Re: #1368 Error identifying aromatic bonds in fused rings John M
  • Re: [Cdk-user] [cdk:bugs] Re: #1368 Error identifying aromatic bonds in fused rings John M

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