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• [Cdk-user] Please send an short announcement to this list of you published about/around/using/... the CDK Egon Willighagen
• [Cdk-user] How is stereo info stored in CDK object after parsing InChI or SMILES? Nick Vandewiele
• [Cdk-user] InChI parsing Nina Jeliazkova
  • Re: [Cdk-user] InChI parsing Nina Jeliazkova
  • Re: [Cdk-user] [Cdk-devel] InChI parsing Egon Willighagen
• [Cdk-user] new planet software for Planet CDK Egon Willighagen
• Re: [Cdk-user] Cdk-user Digest, Vol 53, Issue 21 Syed Asad Rahman
• [Cdk-user] substract substructure Tobias Girschick
  • Re: [Cdk-user] substract substructure Tobias Girschick
  • Re: [Cdk-user] substract substructure Rajarshi Guha
  • Re: [Cdk-user] substract substructure Tobias Girschick
  • Re: [Cdk-user] substract substructure Tobias Girschick
  • Re: [Cdk-user] substract substructure Rajarshi Guha
  • Re: [Cdk-user] substract substructure Tobias Girschick
• [Cdk-user] New file releases Mark Rijnbeek
• [Cdk-user] Rendering issues Nina Jeliazkova
• [Cdk-user] a time out for CDK patch reviewing? Egon Willighagen
  • Re: [Cdk-user] a time out for CDK patch reviewing? Rajarshi Guha
  • Re: [Cdk-user] a time out for CDK patch reviewing? Egon Willighagen
• [Cdk-user] Problems with IteratingMDLReader Tobias Girschick
  • Re: [Cdk-user] Problems with IteratingMDLReader Tobias Girschick
  • Re: [Cdk-user] Problems with IteratingMDLReader Nina Jeliazkova
  • Re: [Cdk-user] [Cdk-devel] Problems with IteratingMDLReader Egon Willighagen
  • Re: [Cdk-user] [Cdk-devel] Problems with IteratingMDLReader Nina Jeliazkova
  • Re: [Cdk-user] [Cdk-devel] Problems with IteratingMDLReader Egon Willighagen
  • Re: [Cdk-user] [Cdk-devel] Problems with IteratingMDLReader Nina Jeliazkova
  • Re: [Cdk-user] [Cdk-devel] Problems with IteratingMDLReader Egon Willighagen
  • Re: [Cdk-user] [Cdk-devel] Problems with IteratingMDLReader Nina Jeliazkova
• [Cdk-user] cdk version Rajarshi Guha
  • Re: [Cdk-user] cdk version Villu Ruusmann
• [Cdk-user] check whether a bond is in a ring Rajarshi Guha
  • Re: [Cdk-user] check whether a bond is in a ring Egon Willighagen
  • Re: [Cdk-user] check whether a bond is in a ring Rajarshi Guha
  • Re: [Cdk-user] check whether a bond is in a ring Egon Willighagen
• [Cdk-user] valency of atoms question Nick Vandewiele
• [Cdk-user] representing variable attachment points? Jules Kerssemakers
• [Cdk-user] CDK fingerprints Adel Golovin
  • Re: [Cdk-user] CDK fingerprints Egon Willighagen
  • Re: [Cdk-user] CDK fingerprints Adel Golovin
  • Re: [Cdk-user] CDK fingerprints Egon Willighagen
  • Re: [Cdk-user] CDK fingerprints Adel Golovin
  • Re: [Cdk-user] CDK fingerprints Adel Golovin
  • Re: [Cdk-user] CDK fingerprints Rajarshi Guha
  • Re: [Cdk-user] CDK fingerprints Adel Golovin
  • Re: [Cdk-user] CDK fingerprints Rajarshi Guha
  • Re: [Cdk-user] CDK fingerprints Adel Golovin
  • Re: [Cdk-user] CDK fingerprints Rajarshi Guha
  • Re: [Cdk-user] CDK fingerprints Adel Golovin
  • Re: [Cdk-user] CDK fingerprints Rajarshi Guha
  • Re: [Cdk-user] CDK fingerprints Adel Golovin
• [Cdk-user] Murcko Framework / aromaticity Pascal Muller
  • Re: [Cdk-user] Murcko Framework / aromaticity Pascal Muller
  • Re: [Cdk-user] Murcko Framework / aromaticity gilleain torrance
  • Re: [Cdk-user] Murcko Framework / aromaticity Christoph Steinbeck
  • Re: [Cdk-user] Murcko Framework / aromaticity Pascal Muller
  • Re: [Cdk-user] Murcko Framework / aromaticity Rajarshi Guha
  • Re: [Cdk-user] Murcko Framework / aromaticity Pascal Muller
  • Re: [Cdk-user] Murcko Framework / aromaticity Egon Willighagen
  • Re: [Cdk-user] Murcko Framework / aromaticity Pascal Muller
  • Re: [Cdk-user] Murcko Framework / aromaticity Pascal Muller
  • Re: [Cdk-user] Murcko Framework / aromaticity Rajarshi Guha
  • Re: [Cdk-user] Murcko Framework / aromaticity Rajarshi Guha
  • Re: [Cdk-user] Murcko Framework / aromaticity Rajarshi Guha
  • Re: [Cdk-user] Murcko Framework / aromaticity gilleain torrance
  • Re: [Cdk-user] Murcko Framework / aromaticity Rajarshi Guha
  • Re: [Cdk-user] Murcko Framework / aromaticity Rajarshi Guha
  • Re: [Cdk-user] Murcko Framework / aromaticity Pascal Muller
  • Re: [Cdk-user] Murcko Framework / aromaticity Rajarshi Guha
• [Cdk-user] Rookie question - RCDK not working. Michael Krein
  • Re: [Cdk-user] Rookie question - RCDK not working. Rajarshi Guha
  • Re: [Cdk-user] Rookie question - RCDK not working. Rajarshi Guha
  • Re: [Cdk-user] Rookie question - RCDK not working. Michael Krein
  • Re: [Cdk-user] Rookie question - RCDK not working. Rajarshi Guha
  • Re: [Cdk-user] Rookie question - RCDK not working. Michael Krein
• [Cdk-user] resonance structure generator? Nick Vandewiele
  • Re: [Cdk-user] resonance structure generator? Christoph Steinbeck
  • Re: [Cdk-user] resonance structure generator? Egon Willighagen
  • Re: [Cdk-user] resonance structure generator? gilleain torrance
• [Cdk-user] CDK 10 year anniversary Egon Willighagen
• [Cdk-user] SMILES / SMARTS question Egon Willighagen
  • Re: [Cdk-user] SMILES / SMARTS question Rajarshi Guha
  • Re: [Cdk-user] SMILES / SMARTS question Egon Willighagen
  • Re: [Cdk-user] SMILES / SMARTS question Egon Willighagen
  • Re: [Cdk-user] SMILES / SMARTS question Rajarshi Guha
  • Re: [Cdk-user] SMILES / SMARTS question Jules Kerssemakers
  • Re: [Cdk-user] SMILES / SMARTS question Rajarshi Guha
  • Re: [Cdk-user] SMILES / SMARTS question Loren Lenzen
• [Cdk-user] renderImage, Smiles, Molecular Weight Özgür Demir
  • Re: [Cdk-user] renderImage, Smiles, Molecular Weight Rajarshi Guha
  • Re: [Cdk-user] renderImage, Smiles, Molecular Weight Rajarshi Guha
  • Re: [Cdk-user] renderImage, Smiles, Molecular Weight Egon Willighagen
  • Re: [Cdk-user] renderImage, Smiles, Molecular Weight Egon Willighagen
• [Cdk-user] AtomMappingTools throws NullPointerException on valid input Thomas G. Kristensen
• [Cdk-user] Review request: CIP rules (subset) Egon Willighagen
• [Cdk-user] Who has a mol2 test file with charges) (was: Charges in mol2 files ignored?) Egon Willighagen
• [Cdk-user] CDK development release 1.3.6 available Egon Willighagen
• [Cdk-user] Charges in mol2 files ignored? Thomas G. Kristensen
  • Re: [Cdk-user] Charges in mol2 files ignored? Egon Willighagen
  • Re: [Cdk-user] Charges in mol2 files ignored? Thomas G. Kristensen
  • Re: [Cdk-user] Charges in mol2 files ignored? Egon Willighagen
  • Re: [Cdk-user] Charges in mol2 files ignored? Thomas G. Kristensen
• [Cdk-user] Order of returned molecules from SMARTSQuery does not respect query Thomas G. Kristensen
  • Re: [Cdk-user] Order of returned molecules from SMARTSQuery does not respect query Rajarshi Guha
  • Re: [Cdk-user] Order of returned molecules from SMARTSQuery does not respect query Thomas G. Kristensen
• [Cdk-user] addAtom slow? Sebastian Wolf
  • Re: [Cdk-user] addAtom slow? Egon Willighagen
• [Cdk-user] CDK 1.2.7 released Egon Willighagen
• [Cdk-user] rendering atom labels Nina Jeliazkova
  • Re: [Cdk-user] rendering atom labels gilleain torrance
  • Re: [Cdk-user] rendering atom labels Nina Jeliazkova
• [Cdk-user] a new list of patches awaiting review Egon Willighagen
• [Cdk-user] ? re. rendering: atom label spacing w/implicit hydrogens Russell, Ian
  • Re: [Cdk-user] ? re. rendering: atom label spacing w/implicit hydrogens Egon Willighagen
  • Re: [Cdk-user] ? re. rendering: atom label spacing w/implicit hydrogens gilleain torrance
  • Re: [Cdk-user] ? re. rendering: atom label spacing w/implicit hydrogens Egon Willighagen
• [Cdk-user] ? re. BondDistance as rendered in aromatic rings Russell, Ian
  • Re: [Cdk-user] ? re. BondDistance as rendered in aromatic rings Mark Rijnbeek
  • Re: [Cdk-user] ? re. BondDistance as rendered in aromatic rings Egon Willighagen
• [Cdk-user] Boston time... Egon Willighagen
• [Cdk-user] RFC: "Rename IAtom.getHydrogenCount to getImplicitHydrogenCount" Egon Willighagen
  • Re: [Cdk-user] RFC: "Rename IAtom.getHydrogenCount to getImplicitHydrogenCount" Rajarshi Guha
  • Re: [Cdk-user] RFC: "Rename IAtom.getHydrogenCount to getImplicitHydrogenCount" Jules Kerssemakers
• [Cdk-user] More on DeduceBondSystemTool (was: Smiles parser and explicit aromaticity) Egon Willighagen
• [Cdk-user] Smiles parser and explicit aromaticity Mark Rijnbeek
  • Re: [Cdk-user] Smiles parser and explicit aromaticity Egon Willighagen
  • Re: [Cdk-user] Smiles parser and explicit aromaticity Egon Willighagen
  • Re: [Cdk-user] Smiles parser and explicit aromaticity markr
• [Cdk-user] 2 Structures in 1 Row in SDF? Yogesh
  • Re: [Cdk-user] 2 Structures in 1 Row in SDF? Egon Willighagen
• [Cdk-user] Fwd: [BlueObelisk-discuss] The Green Chain Reaction; can the Blue Obelisk help? Egon Willighagen
  • Re: [Cdk-user] Fwd: [BlueObelisk-discuss] The Green Chain Reaction; can the Blue Obelisk help? Jules Kerssemakers
• [Cdk-user] StructureDiagramGenerator error? Nick Vandewiele
  • Re: [Cdk-user] StructureDiagramGenerator error? Jules Kerssemakers
  • Re: [Cdk-user] StructureDiagramGenerator error? Nick Vandewiele
  • Re: [Cdk-user] StructureDiagramGenerator error? Christoph Steinbeck
  • Re: [Cdk-user] StructureDiagramGenerator error? Christoph Steinbeck
  • Re: [Cdk-user] StructureDiagramGenerator error? Nick Vandewiele
  • Re: [Cdk-user] StructureDiagramGenerator error? Egon Willighagen
  • Re: [Cdk-user] StructureDiagramGenerator error? Egon Willighagen
• [Cdk-user] why cdk 1.2.x and 1.3.x? Nick Vandewiele
  • Re: [Cdk-user] why cdk 1.2.x and 1.3.x? Egon Willighagen
• [Cdk-user] Substructure search with SMART muell
  • Re: [Cdk-user] Substructure search with SMART Rajarshi Guha
  • Re: [Cdk-user] Substructure search with SMART muell
  • Re: [Cdk-user] Substructure search with SMART Jules Kerssemakers
  • Re: [Cdk-user] Substructure search with SMART Egon Willighagen
• [Cdk-user] CDK 1.2.6 Egon Willighagen
• [Cdk-user] AtomContainer.atoms() returns Iterable, not Iterator? Nick Vandewiele
  • Re: [Cdk-user] AtomContainer.atoms() returns Iterable, not Iterator? Rajarshi Guha
  • Re: [Cdk-user] AtomContainer.atoms() returns Iterable, not Iterator? gilleain torrance
  • [Cdk-user] Rendering molecules as images and documents via a Format String Mark Southern
  • Re: [Cdk-user] Rendering molecules as images and documents via a Format String gilleain torrance
  • Re: [Cdk-user] Rendering molecules as images and documents via a Format String Egon Willighagen
  • Re: [Cdk-user] AtomContainer.atoms() returns Iterable, not Iterator? Egon Willighagen
• [Cdk-user] Chemical spreadsheet using Excel and CDK xyz mjf
  • Re: [Cdk-user] Chemical spreadsheet using Excel and CDK Rajarshi Guha
  • Re: [Cdk-user] Chemical spreadsheet using Excel and CDK Egon Willighagen
• [Cdk-user] CDK.version() ? (was: [Cdk-devel] mol2 reader not working) Egon Willighagen
  • Re: [Cdk-user] CDK.version() ? (was: [Cdk-devel] mol2 reader not working) Jules Kerssemakers
  • Re: [Cdk-user] CDK.version() ? (was: [Cdk-devel] mol2 reader not working) gilleain torrance
  • Re: [Cdk-user] CDK.version() ? (was: [Cdk-devel] mol2 reader not working) Egon Willighagen
  • Re: [Cdk-user] CDK.version() ? (was: [Cdk-devel] mol2 reader not working) Nina Jeliazkova
  • Re: [Cdk-user] CDK.version() ? (was: [Cdk-devel] mol2 reader not working) Rajarshi Guha
• [Cdk-user] IChemObjectReader has no "read" method?!? Jules Kerssemakers
  • Re: [Cdk-user] IChemObjectReader has no "read" method?!? Egon Willighagen
  • Re: [Cdk-user] IChemObjectReader has no "read" method?!? Rajarshi Guha
  • Re: [Cdk-user] IChemObjectReader has no "read" method?!? Egon Willighagen
  • Re: [Cdk-user] IChemObjectReader has no "read" method?!? Jules Kerssemakers
  • Re: [Cdk-user] IChemObjectReader has no "read" method?!? Rajarshi Guha
• [Cdk-user] Rendering in CDK Timothy Mowlem
  • Re: [Cdk-user] Rendering in CDK Egon Willighagen
• [Cdk-user] Fingerprint Bit-Confusion Volker Hähnke
  • Re: [Cdk-user] Fingerprint Bit-Confusion Rajarshi Guha
  • Re: [Cdk-user] Fingerprint Bit-Confusion Volker Hähnke
  • Re: [Cdk-user] Fingerprint Bit-Confusion Rajarshi Guha
  • Re: [Cdk-user] Fingerprint Bit-Confusion Volker Hähnke
  • Re: [Cdk-user] Fingerprint Bit-Confusion Rajarshi Guha
• [Cdk-user] pending patches for CDK 1.2.6 (was: CDK 1.2.6 pending fixes for 5 regressions since 1.2.4) Egon Willighagen
• [Cdk-user] Reading PDB files with 1.3.5 Conrad Huang
• [Cdk-user] loading problem in JCP Viewer applet remy d1
  • Re: [Cdk-user] loading problem in JCP Viewer applet remy d1
• [Cdk-user] problem when following rendering tutorial: aromaticity Jules Kerssemakers
  • [Cdk-user] problem when following rendering tutorial: aromaticity Joos Kiener
  • Re: [Cdk-user] problem when following rendering tutorial: aromaticity Egon Willighagen
  • Re: [Cdk-user] problem when following rendering tutorial: aromaticity Joos Kiener
  • Re: [Cdk-user] problem when following rendering tutorial: aromaticity Egon Willighagen
  • Re: [Cdk-user] problem when following rendering tutorial: aromaticity Joos Kiener
• [Cdk-user] Balancing Chemical Reactions? wateriestfire
  • Re: [Cdk-user] Balancing Chemical Reactions? wateriestfire
  • Re: [Cdk-user] Balancing Chemical Reactions? gilleain torrance
  • Re: [Cdk-user] Balancing Chemical Reactions? wateriestfire
  • Re: [Cdk-user] Balancing Chemical Reactions? gilleain torrance
  • Re: [Cdk-user] Balancing Chemical Reactions? Jules Kerssemakers
• [Cdk-user] Activity values from Pubchem BioAssay? Yogesh
  • Re: [Cdk-user] Activity values from Pubchem BioAssay? Rajarshi Guha
  • Re: [Cdk-user] Activity values from Pubchem BioAssay? Yogesh
  • Re: [Cdk-user] Activity values from Pubchem BioAssay? Rajarshi Guha
  • Re: [Cdk-user] Activity values from Pubchem BioAssay? Rajarshi Guha
• Re: [Cdk-user] Installation of cdk Gurusaran M
  • Re: [Cdk-user] Installation of cdk Jules Kerssemakers

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