openbabel-discuss  

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• 2013/11/13 Re: [Open Babel] isotopes Dimitri Maziuk
• 2013/11/13 Re: [Open Babel] isotopes Geoffrey Hutchison
• 2013/11/13 Re: [Open Babel] isotopes Dimitri Maziuk
• 2013/11/13 Re: [Open Babel] isotopes Geoffrey Hutchison
• 2013/11/13 [Open Babel] isotopes Dimitri Maziuk
• 2013/11/13 Re: [Open Babel] Openbabel and Lone Pairs Noel O'Boyle
• 2013/11/13 Re: [Open Babel] Problem for compiling the example files Noel O'Boyle
• 2013/11/13 Re: [Open Babel] Generating 3D SDF from InChI with Perl Noel O'Boyle
• 2013/11/13 Re: [Open Babel] Generating 3D SDF from InChI with Perl Wallace Chan
• 2013/11/13 [Open Babel] Problem for compiling the example files Nicolas Cheron
• 2013/11/12 Re: [Open Babel] Compile openbabel with OpenMP Igor Filippov
• 2013/11/12 Re: [Open Babel] Compile openbabel with OpenMP Geoffrey Hutchison
• 2013/11/12 Re: [Open Babel] bonds in pybel Dimitri Maziuk
• 2013/11/11 Re: [Open Babel] bonds in pybel Fredrik Wallner
• 2013/11/11 Re: [Open Babel] bonds in pybel Fredrik Wallner
• 2013/11/11 [Open Babel] bonds in pybel Dimitri Maziuk
• 2013/11/11 Re: [Open Babel] cmake errors regarding perl bindings Anil Kumar
• 2013/11/10 Re: [Open Babel] Wrong C=N bond order in imines Igor Leontyev
• 2013/11/09 [Open Babel] BOSum() vs. Valence() Rafel Israels
• 2013/11/08 Re: [Open Babel] issues about using openBabel .net under IIS Jun Liu
• 2013/11/08 Re: [Open Babel] Generating 3D SDF from InChI with Perl Noel O'Boyle
• 2013/11/08 Re: [Open Babel] issues about using openBabel .net under IIS Noel O'Boyle
• 2013/11/08 Re: [Open Babel] Wrong C=N bond order in imines David van der Spoel
• 2013/11/08 Re: [Open Babel] Wrong C=N bond order in imines Geoffrey Hutchison
• 2013/11/08 Re: [Open Babel] Smiles for diphosphorus Craig James
• 2013/11/08 Re: [Open Babel] Smiles for diphosphorus Scott McKechnie
• 2013/11/08 Re: [Open Babel] Smiles for diphosphorus Craig James
• 2013/11/08 [Open Babel] Openbabel and Lone Pairs Maciek Wójcikowski
• 2013/11/08 [Open Babel] Smiles for diphosphorus scott_m
• 2013/11/08 [Open Babel] SetName appends residue number to residue name in MOL2 Hannes Loeffler
• 2013/11/08 Re: [Open Babel] obspectrophore error: not enough atoms in molecule Hans De Winter
• 2013/11/07 Re: [Open Babel] Wrong C=N bond order in imines David van der Spoel
• 2013/11/07 Re: [Open Babel] Wrong C=N bond order in imines Igor Leontyev
• 2013/11/07 Re: [Open Babel] obspectrophore error: not enough atoms in molecule David Hall
• 2013/11/07 [Open Babel] obspectrophore error: not enough atoms in molecule Wendy Hawley Carande
• 2013/11/07 [Open Babel] Generating 3D SDF from InChI with Perl Wallace Chan
• 2013/11/07 Re: [Open Babel] bug in SMILES generation Craig James
• 2013/11/07 Re: [Open Babel] BOSum() vs Valence Rafel Israels
• 2013/11/07 Re: [Open Babel] bug in SMILES generation Michal Krompiec
• 2013/11/07 Re: [Open Babel] BOSum() vs Valence David van der Spoel
• 2013/11/07 Re: [Open Babel] BOSum() vs Valence Noel O'Boyle
• 2013/11/07 [Open Babel] BOSum() vs Valence Rafel Israels
• 2013/11/06 [Open Babel] bug in SMILES generation Francois Berenger
• 2013/11/06 Re: [Open Babel] cmake errors regarding perl bindings Anil Kumar
• 2013/11/05 Re: [Open Babel] cmake errors regarding perl bindings Dimitri Maziuk
• 2013/11/05 Re: [Open Babel] issues about using openBabel .net under IIS Jun Liu
• 2013/11/05 Re: [Open Babel] cmake errors regarding perl bindings Craig James
• 2013/11/05 Re: [Open Babel] cmake errors regarding perl bindings Dimitri Maziuk
• 2013/11/05 Re: [Open Babel] cmake errors regarding perl bindings Craig James
• 2013/11/05 Re: [Open Babel] cmake errors regarding perl bindings Anil Kumar
• 2013/11/04 Re: [Open Babel] Wrong C=N bond order in imines Geoffrey Hutchison
• 2013/11/04 Re: [Open Babel] cmake errors regarding perl bindings Geoffrey Hutchison
• 2013/11/02 Re: [Open Babel] Open Babel version 2.3.2 wrong format conversion Geoffrey Hutchison
• 2013/11/02 [Open Babel] issues about using openBabel .net under IIS Jun Liu
• 2013/11/01 Re: [Open Babel] Open Babel version 2.3.2 wrong format conversion Paul Becherer
• 2013/11/01 Re: [Open Babel] OpenBabel 2.3.2 and OS X 10.9 Hans De Winter
• 2013/11/01 [Open Babel] Open Babel version 2.3.2 wrong format conversion thiruvalluvar
• 2013/11/01 [Open Babel] cmake errors regarding perl bindings Anil Kumar
• 2013/10/31 Re: [Open Babel] OpenBabel 2.3.2 and OS X 10.9 Matt Swain
• 2013/10/31 Re: [Open Babel] OpenBabel 2.3.2 and OS X 10.9 Hans De Winter
• 2013/10/31 Re: [Open Babel] OpenBabel 2.3.2 and OS X 10.9 Matt Swain
• 2013/10/31 Re: [Open Babel] OpenBabel 2.3.2 and OS X 10.9 Tim Vandermeersch
• 2013/10/31 Re: [Open Babel] OpenBabel 2.3.2 and OS X 10.9 Hans De Winter
• 2013/10/31 Re: [Open Babel] OpenBabel 2.3.2 and OS X 10.9 Geoffrey Hutchison
• 2013/10/31 Re: [Open Babel] Can we just copy the compiled files to another account ? Dimitri Maziuk
• 2013/10/30 [Open Babel] Wrong C=N bond order in imines Igor Leontyev
• 2013/10/30 Re: [Open Babel] OpenBabel 2.3.2 and OS X 10.9 Francois Berenger
• 2013/10/30 Re: [Open Babel] OpenBabel 2.3.2 and OS X 10.9 Francois Berenger
• 2013/10/30 Re: [Open Babel] Can we just copy the compiled files to another account ? Francois Berenger
• 2013/10/30 Re: [Open Babel] OpenBabel 2.3.2 and OS X 10.9 Geoffrey Hutchison
• 2013/10/30 [Open Babel] OpenBabel 2.3.2 and OS X 10.9 Hans De Winter
• 2013/10/30 Re: [Open Babel] Can we just copy the compiled files to another account ? Noel O'Boyle
• 2013/10/30 Re: [Open Babel] Can we just copy the compiled files to another account ? Maciek Wójcikowski
• 2013/10/30 [Open Babel] Can we just copy the compiled files to another account ? Zhengyh
• 2013/10/25 Re: [Open Babel] Which is the function in API doing the same thing as --join Dimitri Maziuk
• 2013/10/25 Re: [Open Babel] Which is the function in API doing the same thing as --join Igor Filippov
• 2013/10/25 Re: [Open Babel] Which is the function in API doing the same thing as --join Dimitri Maziuk
• 2013/10/25 Re: [Open Babel] Which is the function in API doing the same thing as --join Geoffrey Hutchison
• 2013/10/25 Re: [Open Babel] Which is the function in API doing the same thing as --join Dimitri Maziuk
• 2013/10/25 Re: [Open Babel] Which is the function in API doing the same thing as --join Fredrik Wallner
• 2013/10/25 Re: [Open Babel] Which is the function in API doing the same thing as --join Dimitri Maziuk
• 2013/10/25 Re: [Open Babel] Which is the function in API doing the same thing as --join Dimitri Maziuk
• 2013/10/25 Re: [Open Babel] Which is the function in API doing the same thing as --join Igor Filippov
• 2013/10/25 Re: [Open Babel] Which is the function in API doing the same thing as --join Dimitri Maziuk
• 2013/10/25 Re: [Open Babel] Which is the function in API doing the same thing as --join Fredrik Wallner
• 2013/10/25 Re: [Open Babel] Which is the function in API doing the same thing as --join Noel O'Boyle
• 2013/10/25 Re: [Open Babel] Which is the function in API doing the same thing as --join Maciek Wójcikowski
• 2013/10/25 [Open Babel] Which is the function in API doing the same thing as --join Zhengyh
• 2013/10/25 Re: [Open Babel] Can't make it work on a Redhat X64 platform! Maciek Wójcikowski
• 2013/10/25 Re: [Open Babel] Can't make it work on a Redhat X64 platform! Noel O'Boyle
• 2013/10/25 [Open Babel] Can't make it work on a Redhat X64 platform! Zhengyh
• 2013/10/23 [Open Babel] mol2 generation partial charges model bug Francois Berenger
• 2013/10/22 Re: [Open Babel] open-source chemical reactions? daya
• 2013/10/22 Re: [Open Babel] open-source chemical reactions? Craig James
• 2013/10/22 Re: [Open Babel] open-source chemical reactions? Igor Filippov
• 2013/10/22 Re: [Open Babel] MacOsX 10.8, Python 3 bindings Noel O'Boyle
• 2013/10/22 Re: [Open Babel] open-source chemical reactions? (David Koes) Raman Parkesh
• 2013/10/22 Re: [Open Babel] open-source chemical reactions? (David Koes) Chris Swain
• 2013/10/21 Re: [Open Babel] MacOsX 10.8, Python 3 bindings David Hall
• 2013/10/21 Re: [Open Babel] open-source chemical reactions? Geoffrey Hutchison
• 2013/10/21 Re: [Open Babel] open-source chemical reactions? Hans De Winter
• 2013/10/21 Re: [Open Babel] MacOsX 10.8, Python 3 bindings O. Baris Malcioglu
• 2013/10/20 Re: [Open Babel] open-source chemical reactions? Geoffrey Hutchison
• 2013/10/20 Re: [Open Babel] open-source chemical reactions? Noel O'Boyle
• 2013/10/19 [Open Babel] open-source chemical reactions? David Koes
• 2013/10/19 Re: [Open Babel] MacOsX 10.8, Python 3 bindings Noel O'Boyle
• 2013/10/19 Re: [Open Babel] MacOsX 10.8, Python 3 bindings David Hall
• 2013/10/19 Re: [Open Babel] MacOsX 10.8, Python 3 bindings David van der Spoel
• 2013/10/19 [Open Babel] MacOsX 10.8, Python 3 bindings O. Baris Malcioglu
• 2013/10/17 [Open Babel] python access to default data dir and lib dir David Hall
• 2013/10/17 Re: [Open Babel] problem while importing pybel Noel O'Boyle
• 2013/10/17 [Open Babel] problem while importing pybel Michał Kadlof
• 2013/10/17 Re: [Open Babel] .castep to .cif issues. Jacco van de Streek
• 2013/10/16 Re: [Open Babel] .castep to .cif issues. Geoffrey Hutchison
• 2013/10/16 Re: [Open Babel] .castep to .cif issues. Jacco van de Streek
• 2013/10/16 Re: [Open Babel] possible bug in openbabel smiles parser Noel O'Boyle
• 2013/10/15 [Open Babel] possible bug in openbabel smiles parser Michal Krompiec
• 2013/10/10 Re: [Open Babel] reading mol2 breaks aromaticity in 1, 5, 6, 7-Tetrahydro-4-indolone David Hall
• 2013/10/09 Re: [Open Babel] molecule too large Dimitri Maziuk
• 2013/10/09 Re: [Open Babel] molecule too large Geoffrey Hutchison
• 2013/10/09 Re: [Open Babel] molecule too large Dimitri Maziuk
• 2013/10/09 Re: [Open Babel] molecule too large Dimitri Maziuk
• 2013/10/09 [Open Babel] reading mol2 breaks aromaticity in 1, 5, 6, 7-Tetrahydro-4-indolone David Hall
• 2013/10/09 Re: [Open Babel] Unable to set up forcefield for coordinates from mol file Scott McKechnie
• 2013/10/09 Re: [Open Babel] molecule too large Noel O'Boyle
• 2013/10/08 Re: [Open Babel] Unable to set up forcefield for coordinates from mol file Geoffrey Hutchison
• 2013/10/08 Re: [Open Babel] molecule too large Geoffrey Hutchison
• 2013/10/08 Re: [Open Babel] molecule too large Craig James
• 2013/10/08 Re: [Open Babel] Unable to set up forcefield for coordinates from mol file Anton Simakov
• 2013/10/08 Re: [Open Babel] Unable to set up forcefield for coordinates from mol file Anton Simakov
• 2013/10/08 Re: [Open Babel] molecule too large Dimitri Maziuk
• 2013/10/08 Re: [Open Babel] molecule too large Noel O'Boyle
• 2013/10/08 Re: [Open Babel] molecule too large Dimitri Maziuk
• 2013/10/08 [Open Babel] Unable to set up forcefield for coordinates from mol file scott_m
• 2013/10/08 Re: [Open Babel] molecule too large Geoffrey Hutchison
• 2013/10/08 Re: [Open Babel] problems with python libraries Michal Krompiec
• 2013/10/07 Re: [Open Babel] problems with python libraries Michal Krompiec
• 2013/10/07 Re: [Open Babel] problems with python libraries Noel O'Boyle
• 2013/10/07 Re: [Open Babel] problems with python libraries Noel O'Boyle
• 2013/10/07 Re: [Open Babel] problems with python libraries Dimitri Maziuk
• 2013/10/07 Re: [Open Babel] problems with python libraries Michal Krompiec
• 2013/10/07 Re: [Open Babel] problems with python libraries Michal Krompiec
• 2013/10/07 Re: [Open Babel] problems with python libraries Noel O'Boyle
• 2013/10/07 Re: [Open Babel] problems with python libraries Michal Krompiec
• 2013/10/07 Re: [Open Babel] SDF M-block Geoffrey Hutchison
• 2013/10/07 Re: [Open Babel] Invalid pointer Force Field (previous solutions don't help) adel
• 2013/10/07 [Open Babel] problems with python libraries Michal Krompiec
• 2013/10/04 Re: [Open Babel] molecule too large Craig James
• 2013/10/04 Re: [Open Babel] molecule too large Dimitri Maziuk
• 2013/10/04 Re: [Open Babel] M-block problem Craig James
• 2013/10/04 Re: [Open Babel] molecule too large Dimitri Maziuk
• 2013/10/04 Re: [Open Babel] molecule too large Geoffrey Hutchison
• 2013/10/04 [Open Babel] M-block problem Mezei, Mihaly
• 2013/10/04 [Open Babel] SDF M-block Mihaly Mezei
• 2013/10/04 [Open Babel] sdf M-block Mezei, Mihaly
• 2013/10/04 Re: [Open Babel] molecule too large Dimitri Maziuk
• 2013/10/04 [Open Babel] molecule too large Dimitri Maziuk
• 2013/10/03 Re: [Open Babel] Open Babel & Boost.Log linking errors. Anton Simakov
• 2013/10/03 Re: [Open Babel] Open Babel & Boost.Log linking errors. Chris Morley
• 2013/10/03 Re: [Open Babel] Invalid pointer Force Field (previous solutions don't help) adel
• 2013/10/03 [Open Babel] Open Babel & Boost.Log linking errors. Anton Simakov
• 2013/10/02 Re: [Open Babel] Invalid pointer Force Field (previous solutions don't help) Geoffrey Hutchison
• 2013/10/02 [Open Babel] Invalid pointer Force Field (previous solutions don't help) adel
• 2013/09/30 [Open Babel] [openbabel] Interactive 3D IPython Rendering (#30) Geoffrey Hutchison
• 2013/09/28 Re: [Open Babel] Monte Carlo VdW Volume Estimation (Pybel) Noel O'Boyle
• 2013/09/25 Re: [Open Babel] search a fastsearch database Brian Moldover
• 2013/09/25 Re: [Open Babel] search a fastsearch database Brian Moldover
• 2013/09/24 Re: [Open Babel] search a fastsearch database Jeff Janes
• 2013/09/24 [Open Babel] search a fastsearch database Brian Moldover
• 2013/09/24 Re: [Open Babel] .castep to .cif issues. Geoffrey Hutchison
• 2013/09/24 Re: [Open Babel] Gasteiger partial charges karthik kumar
• 2013/09/24 Re: [Open Babel] Gasteiger partial charges S.L. Chan
• 2013/09/23 [Open Babel] Gasteiger partial charges karthik kumar
• 2013/09/23 [Open Babel] is addh() broken? qhfxm
• 2013/09/23 [Open Babel] .castep to .cif issues. Jacco van de Streek
• 2013/09/20 [Open Babel] creating molecules by hand vs. reading from smiles Rafel Israels
• 2013/09/17 Re: [Open Babel] mol2 generation partial charges model Geoffrey Hutchison
• 2013/09/17 [Open Babel] mol2 generation partial charges model Francois Berenger
• 2013/09/17 [Open Babel] Monte Carlo VdW Volume Estimation (Pybel) Geoffrey Hutchison
• 2013/09/13 Re: [Open Babel] generate obMol from smiles Noel O'Boyle
• 2013/09/13 Re: [Open Babel] Convert a DImer pdb to Mol2 Pascal Muller
• 2013/09/13 Re: [Open Babel] Convert a DImer pdb to Mol2 Craig James
• 2013/09/13 Re: [Open Babel] generate obMol from smiles Craig James
• 2013/09/13 [Open Babel] Convert a DImer pdb to Mol2 fabiofima
• 2013/09/13 [Open Babel] problem with converting VASP files Saeedeh Tafreshi
• 2013/09/13 [Open Babel] Regardin export of other entries while converting a cdx file to mol2 shagun
• 2013/09/13 [Open Babel] generate obMol from smiles Rafel Israels
• 2013/09/12 Re: [Open Babel] Type error when using Python API to OBReaction Lee-Ping Wang
• 2013/09/11 [Open Babel] generate ObMol from smiles Rafel Israels
• 2013/09/09 [Open Babel] Need babelconfig.h on a binary windows install Dan Tenenbaum
• 2013/09/09 Re: [Open Babel] Write a .sdf file Fredrik Wallner
• 2013/09/09 [Open Babel] Write a .sdf file Altyr
• 2013/08/31 Re: [Open Babel] Cannot compile most recent commit :( Patrick Fuller
• 2013/08/31 Re: [Open Babel] Cannot compile most recent commit :( Noel O'Boyle
• 2013/08/30 Re: [Open Babel] Cannot compile most recent commit :( Noel O'Boyle
• 2013/08/30 [Open Babel] Cannot compile most recent commit :( Patrick Fuller
• 2013/08/26 [Open Babel] FW: morpholine moiety protonation state Bennion, Brian
• 2013/08/26 Re: [Open Babel] Type error when using Python API to OBReaction Noel O'Boyle
• 2013/08/25 Re: [Open Babel] Type error when using Python API to OBReaction Lee-Ping Wang
• 2013/08/25 Re: [Open Babel] Addition of hydrogens to ligands Noel O'Boyle

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