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• [Cdk-user] Your feedback please: finding double bond locations Egon Willighagen
  • Re: [Cdk-user] [Bioclipse-devel] Your feedback please: finding double bond locations Christoph Steinbeck
  • Re: [Cdk-user] [Bioclipse-devel] Your feedback please: finding double bond locations Egon Willighagen
  • Re: [Cdk-user] [Bioclipse-devel] Your feedback please: finding double bond locations Nina Jeliazkova
  • Re: [Cdk-user] Your feedback please: finding double bond locations Loren Lenzen
• Re: [Cdk-user] Cdk-user Digest, Vol 72, Issue 4 Syed Asad Rahman
  • Re: [Cdk-user] Cdk-user Digest, Vol 72, Issue 4 Egon Willighagen
• [Cdk-user] updated atom type specification Egon Willighagen
  • Re: [Cdk-user] updated atom type specification Egon Willighagen
  • Re: [Cdk-user] updated atom type specification Egon Willighagen
• [Cdk-user] MOL to SVG, "natural" size Андрей Парамонов
  • Re: [Cdk-user] MOL to SVG, "natural" size Egon Willighagen
  • Re: [Cdk-user] MOL to SVG, "natural" size Андрей Парамонов
  • Re: [Cdk-user] MOL to SVG, "natural" size Egon Willighagen
• [Cdk-user] Generating 3D coordinates from 2D molfile Mas Kot
  • Re: [Cdk-user] [Cdk-devel] Generating 3D coordinates from 2D molfile Szisz Daniel
• [Cdk-user] MDLV3000Reader kevin.lawson
• [Cdk-user] C-N MMFF94 bond length in aliphatic amines Szisz Daniel
  • Re: [Cdk-user] [Cdk-devel] C-N MMFF94 bond length in aliphatic amines Egon Willighagen
• [Cdk-user] CDK used in a JACS paper Egon Willighagen
• [Cdk-user] MDLV3000Reader kevin.lawson
  • Re: [Cdk-user] MDLV3000Reader kevin.lawson
  • Re: [Cdk-user] MDLV3000Reader Egon Willighagen
• [Cdk-user] cinfony and numpy? Egon Willighagen
  • Re: [Cdk-user] cinfony and numpy? Noel O'Boyle
  • Re: [Cdk-user] cinfony and numpy? Egon Willighagen
• [Cdk-user] Similarity cutoff Jochen Schreiber
  • Re: [Cdk-user] Similarity cutoff Rajarshi Guha
• [Cdk-user] Generating images and image boarder Joos Kiener
  • Re: [Cdk-user] Generating images and image boarder Egon Willighagen
  • Re: [Cdk-user] Generating images and image boarder Christoph Steinbeck
  • Re: [Cdk-user] Generating images and image boarder Egon Willighagen
  • Re: [Cdk-user] Generating images and image boarder Joos Kiener
  • Re: [Cdk-user] Generating images and image boarder Joos Kiener
• [Cdk-user] sdf2Excel lochana menikarachchi
  • Re: [Cdk-user] sdf2Excel Mark Southern
  • Re: [Cdk-user] sdf2Excel Joos Kiener
• [Cdk-user] last call for reviews: 3434538 Makes the reaction module independent from the data module Egon Willighagen
• [Cdk-user] Fwd: [BlueObelisk-discuss] Request for Information about Code libraries for CML Egon Willighagen
• [Cdk-user] ModelBuilder3D test - failures Szisz Daniel
  • Re: [Cdk-user] ModelBuilder3D test - failures Martin Guetlein
  • Re: [Cdk-user] ModelBuilder3D test - failures Rajarshi Guha
  • Re: [Cdk-user] ModelBuilder3D test - failures Egon Willighagen
  • [Cdk-user] ModelBuilder3D bug report - amide handling Szisz Daniel
  • Re: [Cdk-user] [Cdk-devel] ModelBuilder3D bug report - amide handling Egon Willighagen
  • [Cdk-user] ModelBuilder3D status - possible TODOs Szisz Daniel
• [Cdk-user] tip for the making patches: no longer use IMolecule Egon Willighagen
• [Cdk-user] Rendering an image of a chemical, and highlighting elements Vance -
  • Re: [Cdk-user] Rendering an image of a chemical, and highlighting elements Joos Kiener
  • Re: [Cdk-user] Rendering an image of a chemical, and highlighting elements Vance -
  • Re: [Cdk-user] Rendering an image of a chemical, and highlighting elements Vance -
  • Re: [Cdk-user] Rendering an image of a chemical, and highlighting elements Patrik Rydberg
  • Re: [Cdk-user] Rendering an image of a chemical, and highlighting elements Vance -
  • Re: [Cdk-user] Rendering an image of a chemical, and highlighting elements Rajarshi Guha
  • Re: [Cdk-user] Rendering an image of a chemical, and highlighting elements Patrik Rydberg
  • Re: [Cdk-user] Rendering an image of a chemical, and highlighting elements Vance -
  • Re: [Cdk-user] Rendering an image of a chemical, and highlighting elements Egon Willighagen
• [Cdk-user] CDK Descriptors Concurrent Modification Exception lochana menikarachchi
  • Re: [Cdk-user] CDK Descriptors Concurrent Modification Exception Rajarshi Guha
  • Re: [Cdk-user] CDK Descriptors Concurrent Modification Exception Egon Willighagen
• [Cdk-user] IMPORTANT: cdk-1.4.x no longer compatible with master Egon Willighagen
• Re: [Cdk-user] Molecular flexibility analysis Egon Willighagen
  • Re: [Cdk-user] Molecular flexibility analysis Joos Kiener
  • [Cdk-user] Fwd: Molecular flexibility analysis Egon Willighagen
• [Cdk-user] Working with CML Vance -
  • Re: [Cdk-user] Working with CML Egon Willighagen
  • Re: [Cdk-user] Working with CML Vance -
  • Re: [Cdk-user] Working with CML Vance -
  • Re: [Cdk-user] Working with CML Egon Willighagen
  • Re: [Cdk-user] Working with CML Vance -
  • Re: [Cdk-user] Working with CML Vance -
  • Re: [Cdk-user] Working with CML Egon Willighagen
  • Re: [Cdk-user] Working with CML Vance -
• [Cdk-user] Split multiple Structures in 1 AtomContainer into multiple AtomContainers Joos Kiener
  • Re: [Cdk-user] Split multiple Structures in 1 AtomContainer into multiple AtomContainers Nina Jeliazkova
  • Re: [Cdk-user] Split multiple Structures in 1 AtomContainer into multiple AtomContainers Nina Jeliazkova
• Re: [Cdk-user] Deduce Bond System Tool Egon Willighagen
  • Re: [Cdk-user] Deduce Bond System Tool kevin.lawson
  • Re: [Cdk-user] Deduce Bond System Tool Egon Willighagen
  • Re: [Cdk-user] Deduce Bond System Tool kevin.lawson
  • Re: [Cdk-user] Deduce Bond System Tool Egon Willighagen
  • Re: [Cdk-user] Deduce Bond System Tool Egon Willighagen
  • Re: [Cdk-user] Deduce Bond System Tool kevin.lawson
  • Re: [Cdk-user] Deduce Bond System Tool Egon Willighagen
  • Re: [Cdk-user] Deduce Bond System Tool Egon Willighagen
• [Cdk-user] Molecule properties, MDLWriter Jean-Marc Nuzillard
  • Re: [Cdk-user] Molecule properties, MDLWriter Christoph Steinbeck
  • [Cdk-user] Molecule properties, MDLWriter Jean-Marc Nuzillard
  • Re: [Cdk-user] Molecule properties, MDLWriter Egon Willighagen
• [Cdk-user] accessing descriptors in cdk? Nick Vandewiele
  • Re: [Cdk-user] accessing descriptors in cdk? Villu Ruusmann
• [Cdk-user] aromaticity not detected Martin Guetlein
  • Re: [Cdk-user] aromaticity not detected Egon Willighagen
  • Re: [Cdk-user] aromaticity not detected Martin Guetlein
  • Re: [Cdk-user] aromaticity not detected Nina Jeliazkova
  • Re: [Cdk-user] aromaticity not detected Egon Willighagen
• [Cdk-user] the monolithic jar, or the module jars (was: 13C-NMR Predictor, again) Egon Willighagen
• [Cdk-user] IPMolecularLearningDescriptor hangs lochana menikarachchi
  • Re: [Cdk-user] IPMolecularLearningDescriptor hangs Rajarshi Guha
• Re: [Cdk-user] FW: 13C-NMR Predictor, again Stefan Kuhn
  • Re: [Cdk-user] FW: 13C-NMR Predictor, again Hans Horn
• [Cdk-user] 13C-NMR Predictor, again JEAN-MARC NUZILLARD
• [Cdk-user] 13C-NMR Predictor Jean-Marc Nuzillard
• [Cdk-user] Fwd: [BlueObelisk-discuss] QSAR2012: June, Tallinn (Estonia) Egon Willighagen
• [Cdk-user] Fragmenting Molecules based on set of rules lochana menikarachchi
  • Re: [Cdk-user] Fragmenting Molecules based on set of rules Rajarshi Guha
  • Re: [Cdk-user] Fragmenting Molecules based on set of rules Nina Jeliazkova
  • Re: [Cdk-user] Fragmenting Molecules based on set of rules Egon Willighagen
• [Cdk-user] framework for storing and searching chemical structures Joos Kiener
  • Re: [Cdk-user] framework for storing and searching chemical structures Egon Willighagen
  • Re: [Cdk-user] framework for storing and searching chemical structures Joos Kiener
• [Cdk-user] SMARTS [#1] in xml parsing? Nick Vandewiele
  • Re: [Cdk-user] SMARTS [#1] in xml parsing? Rajarshi Guha
  • Re: [Cdk-user] SMARTS [#1] in xml parsing? Nick Vandewiele
  • Re: [Cdk-user] SMARTS [#1] in xml parsing? Egon Willighagen
  • Re: [Cdk-user] SMARTS [#1] in xml parsing? Nick Vandewiele
• Re: [Cdk-user] Help for beginners Christoph Steinbeck
• [Cdk-user] SMILES Aromatic Bond Rendering Stephan Beisken
• [Cdk-user] Priyanka Shah added you to BelSU on Academia.edu Priyanka Shah
• [Cdk-user] Fwd: [Cdk-jchempaint] Callback to Javascript from applet on change? Egon Willighagen
• [Cdk-user] Abbreviated Amino Acids in SDF lochana menikarachchi
  • Re: [Cdk-user] Abbreviated Amino Acids in SDF Egon Willighagen
• [Cdk-user] 3d structure generation in CDK Szisz Daniel
• [Cdk-user] Error after update on ubuntu Jochen Schreiber
  • Re: [Cdk-user] Error after update on ubuntu Egon Willighagen
  • Re: [Cdk-user] Error after update on ubuntu Rajarshi Guha
• [Cdk-user] suggestion for GasteigerMarsiliPartialCharges.java Eric Jang
  • Re: [Cdk-user] suggestion for GasteigerMarsiliPartialCharges.java Eric Jang
• [Cdk-user] formal charges Eric Jang
  • Re: [Cdk-user] formal charges Egon Willighagen
• [Cdk-user] render implicit hydrogens Martin Riese
  • Re: [Cdk-user] render implicit hydrogens Egon Willighagen
• Re: [Cdk-user] Cdk-user Digest, Vol 67, Issue 8 Syed Asad Rahman
• [Cdk-user] SDF Problem lochana menikarachchi
  • Re: [Cdk-user] SDF Problem Rajarshi Guha
  • Re: [Cdk-user] SDF Problem Egon Willighagen
  • [Cdk-user] SDF Problem lochana menikarachchi
• [Cdk-user] CDK releases... Egon Willighagen
• [Cdk-user] Hydrogen labels with subscripts on 2D structure Steve Darnell
• Re: [Cdk-user] the file name says it all :) Rajarshi Guha
• [Cdk-user] SMILES to molfile with structure - aromatic double bonds lost. fixAromaticBondOrders does nothing? Stravs, Michael
• Re: [Cdk-user] if you'd be so kind... Rajarshi Guha
• Re: [Cdk-user] [cdk] Typed the iterator, removing the need for casting when used (6e6cf8e) Egon Willighagen
• [Cdk-user] review request: iterating IO reader with generics Egon Willighagen
• [Cdk-user] Correctness of Fingerprinters and UniversalisomorphismTester Joos Kiener
  • Re: [Cdk-user] Correctness of Fingerprinters and UniversalisomorphismTester Joos Kiener
  • Re: [Cdk-user] Correctness of Fingerprinters and UniversalisomorphismTester Egon Willighagen
  • Re: [Cdk-user] Correctness of Fingerprinters and UniversalisomorphismTester Joos Kiener
  • Re: [Cdk-user] Correctness of Fingerprinters and UniversalisomorphismTester Joos Kiener
  • Re: [Cdk-user] Correctness of Fingerprinters and UniversalisomorphismTester Joos Kiener
  • Re: [Cdk-user] Correctness of Fingerprinters and UniversalisomorphismTester Joos Kiener
• [Cdk-user] Cinfony 1.1 released Noel O'Boyle
• [Cdk-user] Rendering H2O results 0x0 image Dmitry Katsubo
  • Re: [Cdk-user] Rendering H2O results 0x0 image Dmitry Katsubo
  • Re: [Cdk-user] Rendering H2O results 0x0 image Nina Jeliazkova
  • Re: [Cdk-user] Rendering H2O results 0x0 image Egon Willighagen
• [Cdk-user] PubChem database with search Jochen Schreiber
  • Re: [Cdk-user] PubChem database with search Rajarshi Guha
• [Cdk-user] Problem while parsing sdf File Jochen Schreiber
  • Re: [Cdk-user] Problem while parsing sdf File Egon Willighagen
  • Re: [Cdk-user] Problem while parsing sdf File Jochen Schreiber
  • Re: [Cdk-user] Problem while parsing sdf File Egon Willighagen
  • Re: [Cdk-user] Problem while parsing sdf File Jochen Schreiber
  • Re: [Cdk-user] Problem while parsing sdf File Rajarshi Guha
  • Re: [Cdk-user] Problem while parsing sdf File Rajarshi Guha
• [Cdk-user] Fwd: [cdk-bugs] Bonds comparison trouble Egon Willighagen
  • Re: [Cdk-user] Fwd: [cdk-bugs] Bonds comparison trouble Christoph Steinbeck
  • Re: [Cdk-user] Fwd: [cdk-bugs] Bonds comparison trouble Nina Jeliazkova
  • Re: [Cdk-user] Fwd: [cdk-bugs] Bonds comparison trouble Jonathan Alvarsson
  • Re: [Cdk-user] Fwd: [cdk-bugs] Bonds comparison trouble Nina Jeliazkova
• [Cdk-user] JChemPaint Applet and Molfiles Joos Kiener
• [Cdk-user] Updating Cinfony Noel O'Boyle
  • Re: [Cdk-user] Updating Cinfony Egon Willighagen
• [Cdk-user] PubChem SDF Charges lochana menikarachchi
  • Re: [Cdk-user] PubChem SDF Charges Rajarshi Guha
  • Re: [Cdk-user] PubChem SDF Charges Egon Willighagen
• [Cdk-user] not working: loading descriptor instances with java web start Martin Guetlein
  • Re: [Cdk-user] not working: loading descriptor instances with java web start Nina Jeliazkova
  • Re: [Cdk-user] not working: loading descriptor instances with java web start Martin Guetlein
  • Re: [Cdk-user] not working: loading descriptor instances with java web start Egon Willighagen
  • Re: [Cdk-user] not working: loading descriptor instances with java web start Martin Guetlein
  • Re: [Cdk-user] not working: loading descriptor instances with java web start Egon Willighagen
• [Cdk-user] Fw: SDFWriter problem Jonty Lawson
• [Cdk-user] Interrupting descriptor computation Krab
  • Re: [Cdk-user] Interrupting descriptor computation gilleain torrance
  • Re: [Cdk-user] Interrupting descriptor computation Krab
  • Re: [Cdk-user] Interrupting descriptor computation gilleain torrance
  • Re: [Cdk-user] Interrupting descriptor computation Nina Jeliazkova
• [Cdk-user] SMARTS Queries /parametrized Queries and pre-screening Joos Kiener
  • Re: [Cdk-user] SMARTS Queries /parametrized Queries and pre-screening Rajarshi Guha
  • Re: [Cdk-user] SMARTS Queries /parametrized Queries and pre-screening Joos Kiener
  • Re: [Cdk-user] SMARTS Queries /parametrized Queries and pre-screening Rajarshi Guha
  • Re: [Cdk-user] SMARTS Queries /parametrized Queries and pre-screening Jonathan Alvarsson
  • Re: [Cdk-user] SMARTS Queries /parametrized Queries and pre-screening Rajarshi Guha
  • Re: [Cdk-user] SMARTS Queries /parametrized Queries and pre-screening Nina Jeliazkova
  • Re: [Cdk-user] SMARTS Queries /parametrized Queries and pre-screening Jonathan Alvarsson
  • 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

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