cdk-user
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2016/06/03
[Cdk-user] DepictionGenerator - changing Visibility properties
Nikita Kozhukhov
2016/05/24
[Cdk-user] Handling PDB files
Tim Dudgeon
2016/05/19
Re: [Cdk-user] [URGENT] Help needed for processing of aromatic compounds and Structure Search
John M
2016/05/19
Re: [Cdk-user] [URGENT] Help needed for processing of aromatic compounds and Structure Search
Yannick .Djoumbou
2016/05/19
Re: [Cdk-user] [URGENT] Help needed for processing of aromatic compounds and Structure Search
Yannick .Djoumbou
2016/05/19
Re: [Cdk-user] Exception in thread "main" java.lang.UnsupportedOperationException for SubstructureFingerprinter.getCountFingerprint()
Yannick .Djoumbou
2016/05/19
Re: [Cdk-user] Exception in thread "main" java.lang.UnsupportedOperationException for SubstructureFingerprinter.getCountFingerprint()
John M
2016/05/19
Re: [Cdk-user] [URGENT] Help needed for processing of aromatic compounds and Structure Search
John M
2016/05/19
Re: [Cdk-user] Exception in thread "main" java.lang.UnsupportedOperationException for SubstructureFingerprinter.getCountFingerprint()
Yannick .Djoumbou
2016/05/19
Re: [Cdk-user] [URGENT] Help needed for processing of aromatic compounds and Structure Search
Yannick .Djoumbou
2016/05/19
Re: [Cdk-user] [URGENT] Help needed for processing of aromatic compounds and Structure Search
John M
2016/05/19
Re: [Cdk-user] Exception in thread "main" java.lang.UnsupportedOperationException for SubstructureFingerprinter.getCountFingerprint()
John M
2016/05/18
[Cdk-user] Exception in thread "main" java.lang.UnsupportedOperationException for SubstructureFingerprinter.getCountFingerprint()
Yannick .Djoumbou
2016/05/18
[Cdk-user] [URGENT] Help needed for processing of aromatic compounds and Structure Search
Yannick .Djoumbou
2016/05/12
Re: [Cdk-user] Interest in metabolic reaction depictions.
Egon Willighagen
2016/05/12
Re: [Cdk-user] Interest in metabolic reaction depictions.
Christoph Steinbeck
2016/05/12
Re: [Cdk-user] Interest in metabolic reaction depictions.
John M
2016/05/12
[Cdk-user] Interest in metabolic reaction depictions.
John M
2016/05/03
[Cdk-user] CDK
halouma nice
2016/05/02
Re: [Cdk-user] create amino acide
John M
2016/05/02
Re: [Cdk-user] create amino acide
hanouna nouna
2016/05/02
Re: [Cdk-user] create amino acide
John M
2016/05/02
Re: [Cdk-user] create amino acide
hanouna nouna
2016/05/02
Re: [Cdk-user] create amino acide
John M
2016/05/02
Re: [Cdk-user] create amino acide
John M
2016/05/01
Re: [Cdk-user] create amino acide
hanouna nouna
2016/04/29
Re: [Cdk-user] create amino acide
John M
2016/04/28
Re: [Cdk-user] create amino acide
Egon Willighagen
2016/04/27
Re: [Cdk-user] create amino acide
John M
2016/04/27
Re: [Cdk-user] Issues regarding SubstructureFingerprinter. Patterns not found
John M
2016/04/27
Re: [Cdk-user] Issues regarding SubstructureFingerprinter. Patterns not found
John M
2016/04/26
[Cdk-user] Issues regarding SubstructureFingerprinter. Patterns not found
Yannick .Djoumbou
2016/04/25
Re: [Cdk-user] Cdk-user Digest, Vol 116, Issue 3
hanouna nouna
2016/04/25
Re: [Cdk-user] [Cdk-devel] CDK Release 1.5.14
Egon Willighagen
2016/04/25
[Cdk-user] CDK Release 1.5.14
John M
2016/04/04
[Cdk-user] instalation of cdk
hanouna nouna
2016/04/04
Re: [Cdk-user] probleme of instalation of cdk
jay patel
2016/04/04
Re: [Cdk-user] probleme of instalation of cdk
hanouna nouna
2016/04/04
Re: [Cdk-user] probleme of instalation of cdk
hanouna nouna
2016/04/04
Re: [Cdk-user] probleme of instalation of cdk
jay patel
2016/04/04
[Cdk-user] how to ask a question
hanouna nouna
2016/04/04
[Cdk-user] my email
hanouna nouna
2016/03/13
Re: [Cdk-user] [BlueObelisk-discuss] Two Google Summer of Code projects related to the CDK
Robert Hanson
2016/03/13
Re: [Cdk-user] [BlueObelisk-discuss] Two Google Summer of Code projects related to the CDK
Greg Landrum
2016/03/13
Re: [Cdk-user] [BlueObelisk-discuss] Two Google Summer of Code projects related to the CDK
Geoffrey Hutchison
2016/03/06
Re: [Cdk-user] Reaction depiction
Scooter Morris
2016/03/06
Re: [Cdk-user] Reaction depiction
John M
2016/03/05
Re: [Cdk-user] Reaction depiction
John M
2016/03/05
Re: [Cdk-user] Reaction depiction
John M
2016/03/04
[Cdk-user] Reaction depiction
Scooter Morris
2016/03/01
Re: [Cdk-user] [BlueObelisk-discuss] Two Google Summer of Code projects related to the CDK
Egon Willighagen
2016/03/01
Re: [Cdk-user] [BlueObelisk-discuss] Two Google Summer of Code projects related to the CDK
Egon Willighagen
2016/03/01
[Cdk-user] Two Google Summer of Code projects related to the CDK
Egon Willighagen
2016/02/27
Re: [Cdk-user] java.lang.NullPointerException occur when calculating numerical surface with cdk for some molecules
Yannick .Djoumbou
2016/02/27
Re: [Cdk-user] java.lang.NullPointerException occur when calculating numerical surface with cdk for some molecules
Rajarshi Guha
2016/02/26
Re: [Cdk-user] java.lang.NullPointerException occur when calculating numerical surface with cdk for some molecules
Yannick .Djoumbou
2016/02/26
Re: [Cdk-user] java.lang.NullPointerException occur when calculating numerical surface with cdk for some molecules
Rajarshi Guha
2016/02/26
Re: [Cdk-user] java.lang.NullPointerException occur when calculating numerical surface with cdk for some molecules
Zheng Shi
2016/02/25
Re: [Cdk-user] java.lang.NullPointerException occur when calculating numerical surface with cdk for some molecules
Rajarshi Guha
2016/02/25
[Cdk-user] java.lang.NullPointerException occur when calculating numerical surface with cdk for some molecules
Zheng Shi
2016/02/18
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
Giovanni Cincilla
2016/02/18
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
John M
2016/02/18
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
Giovanni Cincilla
2016/02/18
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
John M
2016/02/18
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
Rajarshi Guha
2016/02/18
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
Giovanni Cincilla
2016/02/14
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
Giovanni Cincilla
2016/02/12
[Cdk-user] Fwd: Clarification about LargestChainDescriptor behavior
John M
2016/02/12
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
Giovanni Cincilla
2016/02/11
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
Rajarshi Guha
2016/02/11
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
John M
2016/02/11
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
Rajarshi Guha
2016/02/11
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
John M
2016/02/11
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
Rajarshi Guha
2016/02/11
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
Rajarshi Guha
2016/02/11
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
Giovanni Cincilla
2016/02/11
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
Rajarshi Guha
2016/02/11
Re: [Cdk-user] Clarification about LargestChainDescriptor behavior
John M
2016/02/11
[Cdk-user] Clarification about LargestChainDescriptor behavior
Giovanni Cincilla
2016/02/09
Re: [Cdk-user] Writing SMARTS
cruttkie
2016/02/09
Re: [Cdk-user] Writing SMARTS
John M
2016/02/09
[Cdk-user] Writing SMARTS
cruttkie
2016/02/03
Re: [Cdk-user] ICountFingerprint usage question
John M
2016/02/03
Re: [Cdk-user] ICountFingerprint usage question
Nina Jeliazkova
2016/02/03
Re: [Cdk-user] ICountFingerprint usage question
John M
2016/02/02
[Cdk-user] ICountFingerprint usage question
Nina Jeliazkova
2016/01/27
Re: [Cdk-user] Hydrogen display with DepictionGenerator
John M
2016/01/27
Re: [Cdk-user] DepictionGenerator - unregistered generator?
John M
2016/01/27
Re: [Cdk-user] Hydrogen display with DepictionGenerator
Tim Dudgeon
2016/01/26
Re: [Cdk-user] DepictionGenerator - unregistered generator?
Tim Dudgeon
2016/01/26
Re: [Cdk-user] DepictionGenerator - unregistered generator?
John M
2016/01/26
Re: [Cdk-user] DepictionGenerator - unregistered generator?
Tim Dudgeon
2016/01/26
Re: [Cdk-user] Hydrogen display with DepictionGenerator
John M
2016/01/26
Re: [Cdk-user] DepictionGenerator - unregistered generator?
John M
2016/01/26
Re: [Cdk-user] DepictionGenerator - unregistered generator?
Tim Dudgeon
2016/01/26
Re: [Cdk-user] Hydrogen display with DepictionGenerator
Tim Dudgeon
2016/01/26
Re: [Cdk-user] Hydrogen display with DepictionGenerator
John M
2016/01/26
Re: [Cdk-user] DepictionGenerator - unregistered generator?
John M
2016/01/26
[Cdk-user] DepictionGenerator - unregistered generator?
Tim Dudgeon
2016/01/26
[Cdk-user] Hydrogen display with DepictionGenerator
Tim Dudgeon
2016/01/20
Re: [Cdk-user] inconsistency in ready molfiles
Tim Dudgeon
2016/01/20
Re: [Cdk-user] inconsistency in ready molfiles
Egon Willighagen
2016/01/20
Re: [Cdk-user] inconsistency in ready molfiles
John M
2016/01/19
[Cdk-user] inconsistency in ready molfiles
Tim Dudgeon
2016/01/18
Re: [Cdk-user] computing numerical surface for molecules whose atoms don't have any coordinates using CDK
Rajarshi Guha
2016/01/16
Re: [Cdk-user] SDFile Renderer
John M
2016/01/16
Re: [Cdk-user] SDFile Renderer
John M
2016/01/15
Re: [Cdk-user] SDFile Renderer
John M
2016/01/12
Re: [Cdk-user] SDFile Renderer
John M
2016/01/11
[Cdk-user] SDFile Renderer
Felix Bänsch
2016/01/05
Re: [Cdk-user] Dear CDK, QUESTIONS of standard data set to evaluate ligand-based models
Du, Yu
2016/01/03
Re: [Cdk-user] Dear CDK, QUESTIONS of standard data set to evaluate ligand-based models
Egon Willighagen
2016/01/01
Re: [Cdk-user] [Cdk-devel] Preserving public API
Rajarshi Guha
2016/01/01
[Cdk-user] CDK code migration guides
Egon Willighagen
2016/01/01
Re: [Cdk-user] [Cdk-devel] Preserving public API
Egon Willighagen
2015/12/31
Re: [Cdk-user] [Cdk-devel] Preserving public API
Rajarshi Guha
2015/12/31
Re: [Cdk-user] [Cdk-devel] Preserving public API
Egon Willighagen
2015/12/31
[Cdk-user] Preserving public API
John M
2015/12/23
[Cdk-user] Free (old) copy of Groovy Cheminformatics with the CDK
Egon Willighagen
2015/12/16
[Cdk-user] Dear CDK, QUESTIONS of standard data set to evaluate ligand-based models
杜宇
2015/11/28
[Cdk-user] CDK Release 1.5.12
John M
2015/11/26
Re: [Cdk-user] canonical chiral smiles with free electron pair
John M
2015/11/26
Re: [Cdk-user] canonical chiral smiles with free electron pair
John M
2015/11/26
Re: [Cdk-user] canonical chiral smiles with free electron pair
Lina Humbeck
2015/11/24
Re: [Cdk-user] canonical chiral smiles with free electron pair
John M
2015/11/24
[Cdk-user] canonical chiral smiles with free electron pair
Lina Humbeck
2015/11/20
Re: [Cdk-user] absolute smiles error?
John M
2015/11/19
[Cdk-user] absolute smiles error?
Martin Gütlein
2015/11/11
Re: [Cdk-user] Feedback about CDK 1.4 to 1.5 Migration
Egon Willighagen
2015/11/11
[Cdk-user] unsubscribe
Mark Southern
2015/11/10
Re: [Cdk-user] no aromaticity detected for compound O=s1cncc1
John M
2015/11/10
Re: [Cdk-user] retain unfilled valences
Martin Gütlein
2015/11/10
[Cdk-user] Feedback about CDK 1.4 to 1.5 Migration
Till Schäfer
2015/11/10
Re: [Cdk-user] no aromaticity detected for compound O=s1cncc1
Martin Gütlein
2015/11/10
Re: [Cdk-user] no aromaticity detected for compound O=s1cncc1
John M
2015/11/10
Re: [Cdk-user] retain unfilled valences
John M
2015/11/10
[Cdk-user] retain unfilled valences
Martin Gütlein
2015/11/10
[Cdk-user] no aromaticity detected for compound O=s1cncc1
Martin Gütlein
2015/11/04
Re: [Cdk-user] Fingerprints in 1.4 und 1.5
Egon Willighagen
2015/11/04
Re: [Cdk-user] Fingerprints in 1.4 und 1.5
Egon Willighagen
2015/11/04
Re: [Cdk-user] Fingerprints in 1.4 und 1.5
Till Schäfer
2015/11/04
Re: [Cdk-user] Fingerprints in 1.4 und 1.5
John M
2015/11/04
Re: [Cdk-user] Fingerprints in 1.4 und 1.5
Till Schäfer
2015/11/04
Re: [Cdk-user] Fingerprints in 1.4 und 1.5
Egon Willighagen
2015/11/04
[Cdk-user] Fingerprints in 1.4 und 1.5
Till Schäfer
2015/11/03
Re: [Cdk-user] Molecular Weight
John M
2015/11/03
[Cdk-user] Molecular Weight
John M
2015/10/25
Re: [Cdk-user] CDK Depict
John M
2015/10/25
Re: [Cdk-user] CDK Depict
Rajarshi Guha
2015/10/25
Re: [Cdk-user] CDK Depict
Egon Willighagen
2015/10/25
Re: [Cdk-user] CDK Depict
John May
2015/10/25
Re: [Cdk-user] CDK Depict
Christoph Steinbeck
2015/10/25
Re: [Cdk-user] Deprotonation of Carboxylic Acids
Martin Gütlein
2015/10/25
Re: [Cdk-user] Deprotonation of Carboxylic Acids
Martin Gütlein
2015/10/25
Re: [Cdk-user] CDK Depict
Egon Willighagen
2015/10/25
Re: [Cdk-user] CDK Depict
Christoph Steinbeck
2015/10/24
Re: [Cdk-user] CDK Depict
Rajarshi Guha
2015/10/24
Re: [Cdk-user] CDK Depict
Ola Spjuth
2015/10/24
[Cdk-user] CDK Depict
John M
2015/10/15
Re: [Cdk-user] Deprotonation of Carboxylic Acids
Martin Gütlein
2015/10/15
Re: [Cdk-user] Deprotonation of Carboxylic Acids
Martin Gütlein
2015/10/06
[Cdk-user] Deprotonation of Carboxylic Acids
Schmid Emanuel (ID SIS)
2015/09/23
Re: [Cdk-user] Molecule Validation
Schmid Emanuel (ID SIS)
2015/09/21
Re: [Cdk-user] Molecule Validation
John M
2015/09/21
[Cdk-user] Molecule Validation
Schmid Emanuel (ID SIS)
2015/09/09
Re: [Cdk-user] [Cdk-devel] molfile Sgroups
Syed Asad Rahman
2015/09/08
[Cdk-user] molfile Sgroups
John M
2015/09/03
Re: [Cdk-user] inchi conversion changes compound
John M
2015/09/03
Re: [Cdk-user] inchi conversion changes compound
Martin Gütlein
2015/09/03
Re: [Cdk-user] inchi conversion changes compound
John M
2015/09/02
Re: [Cdk-user] inchi conversion changes compound
John M
2015/09/02
Re: [Cdk-user] inchi conversion changes compound
John M
2015/09/02
[Cdk-user] inchi conversion changes compound
Martin Gütlein
2015/08/30
[Cdk-user] CDK 1.5.11
John M
2015/08/08
Re: [Cdk-user] [cdk:bugs] Re: #1368 Error identifying aromatic bonds in fused rings
Egon Willighagen
2015/08/07
Re: [Cdk-user] [cdk:bugs] Re: #1368 Error identifying aromatic bonds in fused rings
John M
2015/08/07
Re: [Cdk-user] IChemObjectListener
Edmund Duesbury
2015/08/07
Re: [Cdk-user] IChemObjectListener
Edmund Duesbury
2015/08/07
Re: [Cdk-user] IChemObjectListener
Edmund Duesbury
2015/08/07
Re: [Cdk-user] [cdk:bugs] Re: #1368 Error identifying aromatic bonds in fused rings
John M
2015/08/06
Re: [Cdk-user] IChemObjectListener
John M
2015/08/06
Re: [Cdk-user] IChemObjectListener
John M
2015/08/04
Re: [Cdk-user] Reading left and right of SmartsAtom
John M
2015/08/03
[Cdk-user] Reading left and right of SmartsAtom
T. V. Siva Kumar
2015/07/13
Re: [Cdk-user] problems with calculating partial charge with cdk
Zheng Shi
2015/07/13
Re: [Cdk-user] problems with calculating partial charge with cdk
John M
2015/07/13
[Cdk-user] problems with calculating partial charge with cdk
Zheng Shi
2015/07/09
Re: [Cdk-user] Fragment smiles in a molecule
Rajarshi Guha
2015/07/08
Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk
John M
2015/07/08
Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk
John M
2015/07/07
Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk
John K. Sterling
2015/07/07
Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk
Egon Willighagen
2015/07/07
Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk
Zheng Shi
2015/07/07
Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk
Egon Willighagen
2015/07/07
Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk
John M
2015/07/06
Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk
Zheng Shi
2015/07/06
Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk
John M
2015/07/06
Re: [Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk
John M
2015/07/06
[Cdk-user] Fragment smiles in a molecule
T. V. Siva Kumar
2015/07/04
[Cdk-user] puzzles about how to compare two molecules to check whether they are the same in cdk
Zheng Shi
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