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• • Re: [Cdk-user] SMARTS Queries /parametrized Queries and pre-screening Rajarshi Guha
  • Re: [Cdk-user] SMARTS Queries /parametrized Queries and pre-screening Nina Jeliazkova
• [Cdk-user] "The simplest way to make CDK commits" Egon Willighagen
• [Cdk-user] New SMARTCyp released based on CDK 1.4 Patrik Rydberg
• [Cdk-user] Display Molecule Name lochana menikarachchi
• [Cdk-user] post-doc with experience of CDK programming wanted Patrik Rydberg
• [Cdk-user] Patch for FPS write support in the CDK Egon Willighagen
  • Re: [Cdk-user] Patch for FPS write support in the CDK Andrew Dalke
  • Re: [Cdk-user] Patch for FPS write support in the CDK nlskrg
  • Re: [Cdk-user] Patch for FPS write support in the CDK Andrew Dalke
  • Re: [Cdk-user] Patch for FPS write support in the CDK Nina Jeliazkova
• [Cdk-user] SDFWriter lochana menikarachchi
  • Re: [Cdk-user] SDFWriter Egon Willighagen
• [Cdk-user] SDFWriter problem lochana menikarachchi
  • Re: [Cdk-user] Fw: SDFWriter problem Rajarshi Guha
  • Re: [Cdk-user] Fw: SDFWriter problem Sulev Sild
• [Cdk-user] Post-processing of different file formats Ola Spjuth
  • Re: [Cdk-user] Post-processing of different file formats Egon Willighagen
  • Re: [Cdk-user] Post-processing of different file formats Rajarshi Guha
• [Cdk-user] SMSD usage Ola Spjuth
  • Re: [Cdk-user] SMSD usage Egon Willighagen
• [Cdk-user] SMARTS Matching lochana menikarachchi
  • Re: [Cdk-user] SMARTS Matching Rajarshi Guha
  • Re: [Cdk-user] SMARTS Matching Loren Lenzen
• [Cdk-user] Rendered Bonds in Gray lochana menikarachchi
  • Re: [Cdk-user] Rendered Bonds in Gray Nina Jeliazkova
• [Cdk-user] SMARTS visualisation Christoph Steinbeck
  • Re: [Cdk-user] [Cdk-devel] SMARTS visualisation Egon Willighagen
  • Re: [Cdk-user] [Cdk-devel] SMARTS visualisation Syed Asad Rahman
  • Re: [Cdk-user] [BlueObelisk-discuss] SMARTS visualisation Peter Murray-Rust
• Re: [Cdk-user] UniversalIsomorphismTester differences between CDK 1.0.3 and 1.4.4 gilleain torrance
  • Re: [Cdk-user] UniversalIsomorphismTester differences between CDK 1.0.3 and 1.4.4 Egon Willighagen
  • Re: [Cdk-user] UniversalIsomorphismTester differences between CDK 1.0.3 and 1.4.4 Egon Willighagen
• Re: [Cdk-user] Rescaling Rendered Image gilleain torrance
• [Cdk-user] Is there a way of getting the periodic table group corresponding to a given element object or atom symbol? Pablo Moreno
  • Re: [Cdk-user] Is there a way of getting the periodic table group corresponding to a given element object or atom symbol? gilleain torrance
• [Cdk-user] Read Write Gaussian and Gamess lochana menikarachchi
• [Cdk-user] Question about CDK grammar. Roman Eisner
  • Re: [Cdk-user] Question about CDK grammar. Rajarshi Guha
• [Cdk-user] Indications that generation of canonical SMILES fails under certain conditions Egon Willighagen
  • Re: [Cdk-user] Indications that generation of canonical SMILES fails under certain conditions Rajarshi Guha
  • Re: [Cdk-user] Indications that generation of canonical SMILES fails under certain conditions Egon Willighagen
  • Re: [Cdk-user] Indications that generation of canonical SMILES fails under certain conditions Rajarshi Guha
• [Cdk-user] ElementalFormula2Structure lochana menikarachchi
  • Re: [Cdk-user] ElementalFormula2Structure gilleain torrance
• [Cdk-user] inchi parser does not create SingleElectrons? Nick Vandewiele
• Re: [Cdk-user] Cdk-user Digest, Vol 64, Issue 5 Syed Asad Rahman
  • Re: [Cdk-user] Cdk-user Digest, Vol 64, Issue 5 Joos Kiener
  • Re: [Cdk-user] Cdk-user Digest, Vol 64, Issue 5 Nina Jeliazkova
  • Re: [Cdk-user] Cdk-user Digest, Vol 64, Issue 5 Joos Kiener
  • Re: [Cdk-user] Cdk-user Digest, Vol 64, Issue 5 Nina Jeliazkova
  • Re: [Cdk-user] Cdk-user Digest, Vol 64, Issue 5 Joos Kiener
  • Re: [Cdk-user] Cdk-user Digest, Vol 64, Issue 5 Nina Jeliazkova
• Re: [Cdk-user] Cdk-user Digest, Vol 64, Issue 6 Syed Asad Rahman
• [Cdk-user] How to compute MCS for multiple molecules Martin Guetlein
• [Cdk-user] comment about VF2 implementation from chemkit - possible bug Joos Kiener
  • Re: [Cdk-user] comment about VF2 implementation from chemkit - possible bug Nina Jeliazkova
  • Re: [Cdk-user] comment about VF2 implementation from chemkit - possible bug Joos Kiener
• [Cdk-user] inchi generator and valency errors Susur Kicěk
  • Re: [Cdk-user] inchi generator and valency errors Nina Jeliazkova
  • Re: [Cdk-user] inchi generator and valency errors Egon Willighagen
  • Re: [Cdk-user] inchi generator and valency errors Nina Jeliazkova
  • Re: [Cdk-user] inchi generator and valency errors Sam Adams
  • Re: [Cdk-user] inchi generator and valency errors Egon Willighagen
• [Cdk-user] print MCS as aromatic smarts Martin Guetlein
  • Re: [Cdk-user] print MCS as aromatic smarts Martin Guetlein
  • Re: [Cdk-user] print MCS as aromatic smarts Egon Willighagen
  • Re: [Cdk-user] print MCS as aromatic smarts Martin Guetlein
  • Re: [Cdk-user] print MCS as aromatic smarts Nina Jeliazkova
  • Re: [Cdk-user] print MCS as aromatic smarts Egon Willighagen
  • Re: [Cdk-user] print MCS as aromatic smarts Rajarshi Guha
  • Re: [Cdk-user] print MCS as aromatic smarts Rajarshi Guha
  • Re: [Cdk-user] print MCS as aromatic smarts Egon Willighagen
  • Re: [Cdk-user] print MCS as aromatic smarts Rajarshi Guha
  • Re: [Cdk-user] print MCS as aromatic smarts Egon Willighagen
  • Re: [Cdk-user] print MCS as aromatic smarts Martin Guetlein
  • Re: [Cdk-user] print MCS as aromatic smarts John May
  • Re: [Cdk-user] print MCS as aromatic smarts Martin Guetlein
  • Re: [Cdk-user] print MCS as aromatic smarts John May
• [Cdk-user] automated addition of atom types? Nick Vandewiele
  • Re: [Cdk-user] automated addition of atom types? Egon Willighagen
• [Cdk-user] LICSS v2.0 kevin.lawson
  • Re: [Cdk-user] LICSS v2.0 Egon Willighagen
• [Cdk-user] jchempaint.renderer.generators VS cdk.renderer.generators Jonty Lawson
  • Re: [Cdk-user] jchempaint.renderer.generators VS cdk.renderer.generators gilleain torrance
• [Cdk-user] support JChemPaint on ChemSpider Egon Willighagen
• Re: [Cdk-user] Cdk-user Digest, Vol 63, Issue 10 Syed Asad Rahman
• Re: [Cdk-user] Cdk-user Digest, Vol 63, Issue 9 Syed Asad Rahman
  • Re: [Cdk-user] Cdk-user Digest, Vol 63, Issue 9 A. Heifets
  • Re: [Cdk-user] Cdk-user Digest, Vol 63, Issue 9 Syed Asad Rahman
  • Re: [Cdk-user] Cdk-user Digest, Vol 63, Issue 9 Syed Asad Rahman
• [Cdk-user] How to get MCS to respect rings? A. Heifets
• [Cdk-user] New KNIME plugin Thorsten Meinl
  • Re: [Cdk-user] New KNIME plugin Egon Willighagen
  • Re: [Cdk-user] New KNIME plugin Stephan Beisken
  • Re: [Cdk-user] New KNIME plugin Egon Willighagen
  • Re: [Cdk-user] New KNIME plugin Thorsten Meinl
  • Re: [Cdk-user] New KNIME plugin Stephan Beisken
  • Re: [Cdk-user] New KNIME plugin Egon Willighagen
• [Cdk-user] Making hydrogen explicit Alex Henderson
  • Re: [Cdk-user] Making hydrogen explicit Egon Willighagen
• [Cdk-user] loosing aromaticity when writing SDF files Rajarshi Guha
  • Re: [Cdk-user] loosing aromaticity when writing SDF files Egon Willighagen
  • Re: [Cdk-user] loosing aromaticity when writing SDF files Rajarshi Guha
  • Re: [Cdk-user] loosing aromaticity when writing SDF files Egon Willighagen
  • Re: [Cdk-user] loosing aromaticity when writing SDF files Rajarshi Guha
  • Re: [Cdk-user] loosing aromaticity when writing SDF files Egon Willighagen
  • Re: [Cdk-user] loosing aromaticity when writing SDF files Rajarshi Guha
  • Re: [Cdk-user] loosing aromaticity when writing SDF files Egon Willighagen
  • Re: [Cdk-user] loosing aromaticity when writing SDF files Martin Guetlein
  • Re: [Cdk-user] loosing aromaticity when writing SDF files Martin Guetlein
  • Re: [Cdk-user] loosing aromaticity when writing SDF files Nina Jeliazkova
  • Re: [Cdk-user] loosing aromaticity when writing SDF files John May
• [Cdk-user] Implicit hydrogens code migration CDK 1.2 to 1.4 Pudney Chris (ext) GBJH
  • Re: [Cdk-user] Implicit hydrogens code migration CDK 1.2 to 1.4 Egon Willighagen
  • Re: [Cdk-user] Implicit hydrogens code migration CDK 1.2 to 1.4 Pudney Chris (ext) GBJH
  • Re: [Cdk-user] Implicit hydrogens code migration CDK 1.2 to 1.4 Egon Willighagen
  • Re: [Cdk-user] Implicit hydrogens code migration CDK 1.2 to 1.4 Pudney Chris (ext) GBJH
• [Cdk-user] Structure Diagram Generation code migration CDK 1.2 to 1.4 Pudney Chris (ext) GBJH
  • Re: [Cdk-user] Structure Diagram Generation code migration CDK 1.2 to 1.4 Egon Willighagen
• [Cdk-user] Renderer2DModel.set(BasicSceneGenerator.BackgroundColor.class, value) has no effect Pudney Chris (ext) GBJH
  • Re: [Cdk-user] Renderer2DModel.set(BasicSceneGenerator.BackgroundColor.class, value) has no effect Egon Willighagen
• [Cdk-user] Morgan atom numbers? Egon Willighagen
  • Re: [Cdk-user] Morgan atom numbers? Christoph Steinbeck
  • Re: [Cdk-user] Morgan atom numbers? Egon Willighagen
  • Re: [Cdk-user] Morgan atom numbers? Christoph Steinbeck
  • Re: [Cdk-user] Morgan atom numbers? Egon Willighagen
  • Re: [Cdk-user] Morgan atom numbers? Egon Willighagen
• [Cdk-user] anyone using nonotify? Egon Willighagen
  • Re: [Cdk-user] anyone using nonotify? Egon Willighagen
  • Re: [Cdk-user] anyone using nonotify? Rajarshi Guha
  • Re: [Cdk-user] anyone using nonotify? Egon Willighagen
• Re: [Cdk-user] Cdk-user Digest, Vol 62, Issue 11 Syed Asad Rahman
• [Cdk-user] New free CDK software Vincent Le Guilloux
  • Re: [Cdk-user] New free CDK software Christoph Steinbeck
• Re: [Cdk-user] Feature and Performance updates reported in blogs: When do they appear in "public CDK"? Nina Jeliazkova
  • Re: [Cdk-user] Feature and Performance updates reported in blogs: When do they appear in "public CDK"? Egon Willighagen
• Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Vincent Le Guilloux
  • Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Egon Willighagen
  • Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Vincent Le Guilloux
  • Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Egon Willighagen
  • Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Rajarshi Guha
  • Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Vincent Le Guilloux
  • Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Egon Willighagen
  • Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Vincent Le Guilloux
  • Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Egon Willighagen
  • Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Vincent Le Guilloux
  • Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Sulev Sild
  • Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Thomas Strunz
• [Cdk-user] Generating rough 3D atomic coordinates... Mark Holfelder
  • Re: [Cdk-user] Generating rough 3D atomic coordinates... Christoph Steinbeck
  • Re: [Cdk-user] Generating rough 3D atomic coordinates... Egon Willighagen
• [Cdk-user] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Egon Willighagen
  • Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Nina Jeliazkova
  • Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Christian Spiteri
  • Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Egon Willighagen
  • Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Dmitry Katsubo
  • Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Rajarshi Guha
  • Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Nina Jeliazkova
  • Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Rajarshi Guha
  • Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Syed Asad Rahman
  • Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Nina Jeliazkova
  • Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Jules Kerssemakers
  • Re: [Cdk-user] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Egon Willighagen
  • Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Jules Kerssemakers
  • Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Egon Willighagen
  • Re: [Cdk-user] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Thomas Strunz
  • Re: [Cdk-user] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Egon Willighagen
  • Re: [Cdk-user] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Thomas Strunz
  • Re: [Cdk-user] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Nina Jeliazkova
  • Re: [Cdk-user] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Rajarshi Guha
  • Re: [Cdk-user] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Thomas Strunz
  • Re: [Cdk-user] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Rajarshi Guha
  • Re: [Cdk-user] [Cdk-devel] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Egon Willighagen
  • Re: [Cdk-user] Exceptions again: three designs. What will we use in the next CDK series (1.6 or 2.0)? Dmitry Katsubo
• [Cdk-user] CDK 1.4.0 is released Egon Willighagen
  • Re: [Cdk-user] CDK 1.4.0 is released Rajarshi Guha
  • Re: [Cdk-user] CDK 1.4.0 is released Christoph Steinbeck
  • Re: [Cdk-user] [Cdk-devel] CDK 1.4.0 is released Syed Asad Rahman
• [Cdk-user] $Id$ in descriptor specifications Egon Willighagen
• [Cdk-user] cdk-1.4.x going into freeze Egon Willighagen
  • Re: [Cdk-user] cdk-1.4.x going into freeze Egon Willighagen
• [Cdk-user] finding all paths between atoms Ed Barker
  • Re: [Cdk-user] finding all paths between atoms gilleain torrance
• Re: [Cdk-user] [Cdk-jchempaint] MOL to SVG Egon Willighagen
• [Cdk-user] rendering of molecules back in the main CDK release Egon Willighagen
  • Re: [Cdk-user] rendering of molecules back in the main CDK release Rajarshi Guha
  • Re: [Cdk-user] rendering of molecules back in the main CDK release Egon Willighagen
  • Re: [Cdk-user] rendering of molecules back in the main CDK release Egon Willighagen
• Re: [Cdk-user] [Bioclipse-users] Add Molecular Volume Descriptor Egon Willighagen
  • Re: [Cdk-user] [Bioclipse-users] Add Molecular Volume Descriptor Rudy J. Richardson
• [Cdk-user] Mol2Writer throwing NullPointerException Christian Spiteri
  • Re: [Cdk-user] Mol2Writer throwing NullPointerException Egon Willighagen
• [Cdk-user] Error in SMARTS with "S" Syed Asad Rahman
  • Re: [Cdk-user] Error in SMARTS with "S" Rajarshi Guha
• [Cdk-user] SD file reader example in CTR Andrew Dalke
  • Re: [Cdk-user] SD file reader example in CTR Rajarshi Guha
  • Re: [Cdk-user] SD file reader example in CTR Jules Kerssemakers
  • Re: [Cdk-user] SD file reader example in CTR Andrew Dalke
  • Re: [Cdk-user] SD file reader example in CTR Rajarshi Guha

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