Messages by Thread
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Re: [Cdk-user] draw molecule
Angel Herráez
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[Cdk-user] draw molecule
JingG
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[Cdk-user] Where is the MFAnalyser gone ?
pavel willy
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[Cdk-user] UniversalIsomorphismTester.getSubgraphAtomsMap() not working for small molecules?
Martin Guetlein
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[Cdk-user] SmilesParser and Chirality
sebastian.klemm
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[Cdk-user] SQT, SmilesParser, MDLReader questions
Loren Lenzen
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[Cdk-user] Structure diagram rendering code migration 1.0.x to 1.2.x
Chris Pudney
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[Cdk-user] Structure Diagram Generation code migration 1.0.x to 1.2.x
Chris Pudney
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Re: [Cdk-user] Cdk-user Digest, Vol 36, Issue 1
Syed Asad Rahman
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[Cdk-user] Possible bug in SQT
Loren Lenzen
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[Cdk-user] Calculating Fingerprints
Beesley, Angela
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[Cdk-user] Re to Gilleain regarding st2d.java
Beesley, Angela
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[Cdk-user] Question on Tabular Display of 2D Structures
Beesley, Angela
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[Cdk-user] PubChem Fingerprints now available
Egon Willighagen
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[Cdk-user] Question on descriptors
Beesley, Angela
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Re: [Cdk-user] active site detection (Was: Scaffold generator)
Angel Herráez
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Re: [Cdk-user] Cdk-user Digest, Vol 35, Issue 12
Peter Maas
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[Cdk-user] substructure searching
Loren Lenzen
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[Cdk-user] Error while reading a SD molecule
Vincent Le Guilloux
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[Cdk-user] New Version of SMSD (Small Molecule Subgraph Detector) Available
Syed Asad Rahman
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[Cdk-user] Planet CDK
Egon Willighagen
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[Cdk-user] CDK 1.2.1 released
Egon Willighagen
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[Cdk-user] CDK Workshop Web Coverage KickOff
Egon Willighagen
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[Cdk-user] SMARTS implementation
Loren Lenzen
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[Cdk-user] Detect stereocenters of a molecule
Ola Spjuth
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Re: [Cdk-user] [Jmol-users] Jmol + cdk
Egon Willighagen
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[Cdk-user] RingAtom class & NPE
P D
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[Cdk-user] installing CDK on centOS 4
Emilio Xavier Esposito
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[Cdk-user] switch off firing of ChemObjectChangeEvent
Markus Hartenfeller
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[Cdk-user] SMILESwriter can write canonical SMILES?
Noel O'Boyle
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[Cdk-user] CDK Nightly Builds now served by EBI
Christoph Steinbeck
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[Cdk-user] 2nd Call for registration: CDK workshop in Hinxton, Cambridge, on April 20/21, 2009
Christoph Steinbeck
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[Cdk-user] CDK 1.2.0 released; 1.0 EOL; SVN -> Git
Egon Willighagen
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[Cdk-user] 2D Depiction Coordinates
Alexander Klenner
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[Cdk-user] SSSRFinder
Markus Hartenfeller
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[Cdk-user] 2D depiction and MDL reader
Vincent Le Guilloux
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[Cdk-user] Open posisitions at EBI (related to Open Source, Open Data)
Christoph Steinbeck
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[Cdk-user] JOElib converter
Vincent Le Guilloux
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[Cdk-user] compiling cdk 1.1.5 on osx
gilleain torrance
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[Cdk-user] CDK Workshop at EBI on April 20/21
Christoph Steinbeck
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Re: [Cdk-user] jsMolEditor preview 0.2 is available for download now.
Angel Herraez
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Re: [Cdk-user] jsMolEditor preview 0.2
Angel Herraez
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[Cdk-user] problem installing cdk
David Lagorce
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[Cdk-user] jsMolEditor preview 0.2 is available for download now.
Duan Lian
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[Cdk-user] Clever libraries
Christoph Steinbeck
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[Cdk-user] CDK 1.2 Release Candidate
Egon Willighagen
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[Cdk-user] DeduceBondSystemTool performance
Peter Maas
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[Cdk-user] PhD position in Computational Structural Biology at Cambridge, UK
Swanand Gore
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[Cdk-user] 2D depictions
Rajarshi Guha
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[Cdk-user] help with implementing VicinitySampler
Ketterer, Matthew James
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[Cdk-user] AJAX Based Molecule Editor, anyone interested in that?
Duan Lian
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[Cdk-user] Fwd: CCL: SMILES to VRML or X3D
Rajarshi Guha
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[Cdk-user] rotatable bonds
Peter Maas
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[Cdk-user] [UPDATE] Status CDK 1.2.x
Egon Willighagen
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[Cdk-user] molecule images from MDL files
Adel Golovin
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[Cdk-user] Parser went wrong dealing with aromatic SMILES
Duan Lian
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[Cdk-user] Any way to render an image of salts?
Duan Lian