openbabel-devel
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Re: [OpenBabel-Devel] FASTA File
Noel O'Boyle
[OpenBabel-Devel] Proline Bond Lists
Browning Nicholas John
Re: [OpenBabel-Devel] Proline Bond Lists
Browning Nicholas John
Re: [OpenBabel-Devel] Proline Bond Lists
Browning Nicholas John
Re: [OpenBabel-Devel] Proline Bond Lists
Geoffrey Hutchison
Re: [OpenBabel-Devel] Proline Bond Lists
Browning Nicholas John
Re: [OpenBabel-Devel] Proline Bond Lists
Geoffrey Hutchison
Re: [OpenBabel-Devel] Proline Bond Lists
Stefano Forli
Re: [OpenBabel-Devel] Proline Bond Lists
Stefano Forli
Re: [OpenBabel-Devel] Proline Bond Lists
Geoffrey Hutchison
Re: [OpenBabel-Devel] Question about openbabel ECFP fingerprint
Geoffrey Hutchison
[OpenBabel-Devel] 2.4.1
Geoffrey Hutchison
Re: [OpenBabel-Devel] 2.4.1
Michael Banck
Re: [OpenBabel-Devel] 2.4.1
Maciek Wójcikowski
[OpenBabel-Devel] Fwd: InChI Software version 1.05
Noel O'Boyle
Re: [OpenBabel-Devel] Fwd: InChI Software version 1.05
Michael Banck
Re: [OpenBabel-Devel] InChI Software version 1.05
Geoffrey Hutchison
Re: [OpenBabel-Devel] InChI Software version 1.05
Matthew Swain
Re: [OpenBabel-Devel] InChI Software version 1.05
Noel O'Boyle
Re: [OpenBabel-Devel] InChI Software version 1.05
Geoffrey Hutchison
[OpenBabel-Devel] Fwd: Re: Python bindings version
Noel O'Boyle
[OpenBabel-Devel] ANNOUNCE: Open Babel 2.4.0 Released
Geoffrey Hutchison
[OpenBabel-Devel] ANNOUNCE: Open Babel 3.0.0 Released
Geoffrey Hutchison
Re: [OpenBabel-Devel] ANNOUNCE: Open Babel 3.0.0 Released
Noel O'Boyle
Re: [OpenBabel-Devel] ANNOUNCE: Open Babel 3.0.0 Released
Maciek Wójcikowski
[OpenBabel-Devel] Release candidates for Windows: GUI and Python
Noel O'Boyle
Re: [OpenBabel-Devel] possibly a bug: no spin multiplicity in S, K
NakataMaho
[OpenBabel-Devel] Carbon with 5 bonds
Stefano Forli
[OpenBabel-Devel] possibly a bug in smiles format
NakataMaho
[OpenBabel-Devel] Another bug: -oreport reports incorrect hydrogen number
NakataMaho
[OpenBabel-Devel] OBABEL crashes Re: Another bug: -oreport reports incorrect hydrogen number
NakataMaho
Re: [OpenBabel-Devel] OBABEL crashes Re: Another bug: -oreport reports incorrect hydrogen number
Geoffrey Hutchison
Re: [OpenBabel-Devel] OBABEL crashes Re: Another bug: -oreport reports incorrect hydrogen number
NakataMaho
Re: [OpenBabel-Devel] OBABEL crashes Re: Another bug: -oreport reports incorrect hydrogen number
NakataMaho
Re: [OpenBabel-Devel] Another bug: -oreport reports incorrect hydrogen number
NakataMaho
[OpenBabel-Devel] Implicit copy constructor
Mohammad Mehdi Ghahremanpour
Re: [OpenBabel-Devel] Implicit copy constructor
Geoffrey Hutchison
[OpenBabel-Devel] problem with requesting for git pull
Mohammad Mehdi Ghahremanpour
Re: [OpenBabel-Devel] problem with requesting for git pull
Noel O'Boyle
[OpenBabel-Devel] new MacroMolecular Transmission Format (MMTF)
Stefano Forli
Re: [OpenBabel-Devel] [Open Babel] GAFF2 in babel?
Geoffrey Hutchison
[OpenBabel-Devel] Windows + Data directory.
Maciek Wójcikowski
Re: [OpenBabel-Devel] Windows + Data directory.
Geoffrey Hutchison
Re: [OpenBabel-Devel] Windows + Data directory.
Maciek Wójcikowski
Re: [OpenBabel-Devel] Windows + Data directory.
Maciek Wójcikowski
Re: [OpenBabel-Devel] Windows + Data directory.
Geoffrey Hutchison
Re: [OpenBabel-Devel] Windows + Data directory.
Maciek Wójcikowski
Re: [OpenBabel-Devel] Windows + Data directory.
Kirill Okhotnikov
Re: [OpenBabel-Devel] Windows + Data directory.
Geoffrey Hutchison
Re: [OpenBabel-Devel] Windows + Data directory.
Kirill Okhotnikov
[OpenBabel-Devel] Conda Windows
Noel O'Boyle
Re: [OpenBabel-Devel] Conda Windows
Maciek Wójcikowski
Re: [OpenBabel-Devel] Conda Windows
Maciek Wójcikowski
Re: [OpenBabel-Devel] Conda Windows
Björn Grüning
Re: [OpenBabel-Devel] Conda Windows
Maciek Wójcikowski
Re: [OpenBabel-Devel] Conda Windows
Geoffrey Hutchison
Re: [OpenBabel-Devel] Conda Windows
Maciek Wójcikowski
Re: [OpenBabel-Devel] Conda Windows
Geoffrey Hutchison
[OpenBabel-Devel] fillUC sets space group to P1?
Patrick Avery
Re: [OpenBabel-Devel] fillUC sets space group to P1?
Geoffrey Hutchison
[OpenBabel-Devel] Treat warnings as errors
Noel O'Boyle
Re: [OpenBabel-Devel] Treat warnings as errors
Geoff Hutchison
Re: [OpenBabel-Devel] Treat warnings as errors
Noel O'Boyle
Re: [OpenBabel-Devel] Treat warnings as errors
Geoffrey Hutchison
Re: [OpenBabel-Devel] Pybel error
Geoffrey Hutchison
Re: [OpenBabel-Devel] Pybel error
Leonardo Lazzaro
[OpenBabel-Devel] Release notes - anything missing?
Noel O'Boyle
Re: [OpenBabel-Devel] Release notes - anything missing?
Maciek Wójcikowski
Re: [OpenBabel-Devel] Release notes - anything missing?
Noel O'Boyle
Re: [OpenBabel-Devel] Release notes - anything missing?
Geoffrey Hutchison
[OpenBabel-Devel] Building openbabel with Intel compilers
Maik Schmidt
Re: [OpenBabel-Devel] Building openbabel with Intel compilers
Noel O'Boyle
[OpenBabel-Devel] OB API/ABI changes
Noel O'Boyle
Re: [OpenBabel-Devel] OB API/ABI changes
Geoffrey Hutchison
Re: [OpenBabel-Devel] OB API/ABI changes
Noel O'Boyle
Re: [OpenBabel-Devel] OB API/ABI changes
Stefano Forli
Re: [OpenBabel-Devel] OB API/ABI changes
David van der Spoel
Re: [OpenBabel-Devel] OB API/ABI changes
Noel O'Boyle
Re: [OpenBabel-Devel] OB API/ABI changes
David van der Spoel
Re: [OpenBabel-Devel] OB API/ABI changes
Noel O'Boyle
Re: [OpenBabel-Devel] OB API/ABI changes
Geoffrey Hutchison
Re: [OpenBabel-Devel] OB API/ABI changes
Noel O'Boyle
Re: [OpenBabel-Devel] OB API/ABI changes
Stefano Forli
Re: [OpenBabel-Devel] OB API/ABI changes
Noel O'Boyle
Re: [OpenBabel-Devel] OB API/ABI changes
Noel O'Boyle
Re: [OpenBabel-Devel] OB API/ABI changes
Michael Banck
Re: [OpenBabel-Devel] OB API/ABI changes
Geoffrey Hutchison
[OpenBabel-Devel] Incoming release question
Stefano Forli
Re: [OpenBabel-Devel] big in cif input format
Jean Brefort
[OpenBabel-Devel] bug in monoclinic space groups
Cohen, Ronald
[OpenBabel-Devel] Hard, Slow, or Tricky Kekule structures
Geoffrey Hutchison
Re: [OpenBabel-Devel] Hard, Slow, or Tricky Kekule structures
Noel O'Boyle
Re: [OpenBabel-Devel] Hard, Slow, or Tricky Kekule structures
Geoffrey Hutchison
Re: [OpenBabel-Devel] Hard, Slow, or Tricky Kekule structures
David van der Spoel
[OpenBabel-Devel] fedora openbabel-devel rpm package
Igor Filippov
Re: [OpenBabel-Devel] fedora openbabel-devel rpm package
Dominik 'Rathann' Mierzejewski
Re: [OpenBabel-Devel] [Open Babel] 1-substituted adamantane InChIKeys
Geoffrey Hutchison
Re: [OpenBabel-Devel] [Open Babel] 1-substituted adamantane InChIKeys
John M
Re: [OpenBabel-Devel] Regarding Google Summer of Code project
Geoffrey Hutchison
Re: [OpenBabel-Devel] [Open Babel] Azide and protonation: disappearing nitrogen
Stefano Forli
Re: [OpenBabel-Devel] [Open Babel] Azide and protonation: disappearing nitrogen
Stefano Forli
[OpenBabel-Devel] OBMol::EndModify
David van der Spoel
[OpenBabel-Devel] Open Chemistry in Google Summer of Code
Geoffrey Hutchison
Re: [OpenBabel-Devel] [Open Babel] Open Chemistry in Google Summer of Code
Nathan Pimental
[OpenBabel-Devel] GetAtomIDNumber Bug
Browning Nicholas John
[OpenBabel-Devel] Many test exception on Mac OSX with -DCMAKE_BUILD_TYPE=Debug
David van der Spoel
Re: [OpenBabel-Devel] Many test exception on Mac OSX with -DCMAKE_BUILD_TYPE=Debug
David Lonie
Re: [OpenBabel-Devel] Many test exception on Mac OSX with -DCMAKE_BUILD_TYPE=Debug
David van der Spoel
Re: [OpenBabel-Devel] Many test exception on Mac OSX with -DCMAKE_BUILD_TYPE=Debug
Geoffrey Hutchison
Re: [OpenBabel-Devel] Many test exception on Mac OSX with -DCMAKE_BUILD_TYPE=Debug
David van der Spoel
Re: [OpenBabel-Devel] Many test exception on Mac OSX with -DCMAKE_BUILD_TYPE=Debug
Noel O'Boyle
Re: [OpenBabel-Devel] Many test exception on Mac OSX with -DCMAKE_BUILD_TYPE=Debug
Mohammad Mehdi Ghahremanpour
Re: [OpenBabel-Devel] Many test exception on Mac OSX with -DCMAKE_BUILD_TYPE=Debug
Geoffrey Hutchison
[OpenBabel-Devel] Minimum version of MSVC for Open Babel master?
Marcus D. Hanwell
Re: [OpenBabel-Devel] Minimum version of MSVC for Open Babel master?
Marcus D. Hanwell
Re: [OpenBabel-Devel] Minimum version of MSVC for Open Babel master?
Noel O'Boyle
Re: [OpenBabel-Devel] Minimum version of MSVC for Open Babel master?
Marcus D. Hanwell
Re: [OpenBabel-Devel] Minimum version of MSVC for Open Babel master?
Noel O'Boyle
[OpenBabel-Devel] bondtyp.txt
Mohammad Mehdi Ghahremanpour
Re: [OpenBabel-Devel] bondtyp.txt
Geoffrey Hutchison
Re: [OpenBabel-Devel] bondtyp.txt
Mohammad Mehdi Ghahremanpour
Re: [OpenBabel-Devel] bondtyp.txt
David van der Spoel
[OpenBabel-Devel] Last Call for 2.4 contributions
Geoffrey Hutchison
[OpenBabel-Devel] Generating SMARTS format
Mohammad Mehdi Ghahremanpour
Re: [OpenBabel-Devel] Generating SMARTS format
Stefano Forli
Re: [OpenBabel-Devel] Generating SMARTS format
Fredrik Wallner
Re: [OpenBabel-Devel] Generating SMARTS format
David van der Spoel
Re: [OpenBabel-Devel] Generating SMARTS format
Geoffrey Hutchison
Re: [OpenBabel-Devel] Generating SMARTS format
Mohammad Mehdi Ghahremanpour
Re: [OpenBabel-Devel] Generating SMARTS format
Geoffrey Hutchison
Re: [OpenBabel-Devel] Generating SMARTS format
Mohammad Mehdi Ghahremanpour
Re: [OpenBabel-Devel] Generating SMARTS format
Geoffrey Hutchison
[OpenBabel-Devel] Bonds for unusual valencies
David van der Spoel
Re: [OpenBabel-Devel] Bonds for unusual valencies
Craig James
Re: [OpenBabel-Devel] Bonds for unusual valencies
David van der Spoel
Re: [OpenBabel-Devel] Bonds for unusual valencies
Geoffrey Hutchison
Re: [OpenBabel-Devel] Bonds for unusual valencies
David van der Spoel
Re: [OpenBabel-Devel] Bonds for unusual valencies
Geoffrey Hutchison
[OpenBabel-Devel] Fulleren energy calculatuion
Ruslan
[OpenBabel-Devel] (no subject)
Stefano Forli
Re: [OpenBabel-Devel] (no subject)
David van der Spoel
Re: [OpenBabel-Devel] new HbondAcceptor() function
Stefano Forli
Re: [OpenBabel-Devel] (no subject)
Geoffrey Hutchison
[OpenBabel-Devel] OBAlign Stressing
Pranav
[OpenBabel-Devel] 2.4 Release - Scheduling & Future Plans
Geoffrey Hutchison
Re: [OpenBabel-Devel] 2.4 Release - Scheduling & Future Plans
Maciek Wójcikowski
Re: [OpenBabel-Devel] 2.4 Release - Scheduling & Future Plans
Stefano Forli
Re: [OpenBabel-Devel] 2.4 Release - Scheduling & Future Plans
Geoffrey Hutchison
Re: [OpenBabel-Devel] 2.4 Release - Scheduling & Future Plans
Geoffrey Hutchison
Re: [OpenBabel-Devel] 2.4 Release - Scheduling & Future Plans
David van der Spoel
Re: [OpenBabel-Devel] 2.4 Release - Scheduling & Future Plans
Geoffrey Hutchison
[OpenBabel-Devel] Linking openbabel-dev formats
David van der Spoel
[OpenBabel-Devel] OBBond.IsEster() matches free carboxy groups
Stefano Forli
[OpenBabel-Devel] Space Groups in PDB files
Geoffrey Hutchison
[OpenBabel-Devel] Conflict with system locale.h
David van der Spoel
Re: [OpenBabel-Devel] Conflict with system locale.h
Geoffrey Hutchison
[OpenBabel-Devel] OBPair support in Mol2 format
Stefano Forli
Re: [OpenBabel-Devel] OBPair support in Mol2 format
Geoffrey Hutchison
Re: [OpenBabel-Devel] OBPair support in Mol2 format
Maciek Wójcikowski
Re: [OpenBabel-Devel] OBPair support in Mol2 format
Maciek Wójcikowski
Re: [OpenBabel-Devel] OBPair support in Mol2 format
Maciek Wójcikowski
Re: [OpenBabel-Devel] OBPair support in Mol2 format
Stefano Forli
Re: [OpenBabel-Devel] OBPair support in Mol2 format
Maciek Wójcikowski
Re: [OpenBabel-Devel] OBPair support in Mol2 format
Stefano Forli
[OpenBabel-Devel] PQR reading file
ggbs
Re: [OpenBabel-Devel] PQR reading file
ggbs
[OpenBabel-Devel] canonical dot-separated smiles
TJ O'Donnell
Re: [OpenBabel-Devel] canonical dot-separated smiles
Geoffrey Hutchison
[OpenBabel-Devel] python cast of OBStereo.NoRef
TJ O'Donnell
Re: [OpenBabel-Devel] python cast of OBStereo.NoRef
Geoffrey Hutchison
Re: [OpenBabel-Devel] python cast of OBStereo.NoRef
TJ O'Donnell
[OpenBabel-Devel] cmake formats
David Koes
Re: [OpenBabel-Devel] cmake formats
Geoffrey Hutchison
[OpenBabel-Devel] How to get force fields parameters
iwao aoyama
Re: [OpenBabel-Devel] How to get force fields parameters
iwao aoyama
Re: [OpenBabel-Devel] How to get force fields parameters
iwao aoyama
Re: [OpenBabel-Devel] How to get force fields parameters
iwao aoyama
[OpenBabel-Devel] Gen2D screws up stereo?
Craig James
Re: [OpenBabel-Devel] Gen2D screws up stereo?
Noel O'Boyle
Re: [OpenBabel-Devel] Gen2D screws up stereo?
Craig James
Re: [OpenBabel-Devel] Gen2D screws up stereo?
Craig James
[OpenBabel-Devel] Problem with Win7 and MinGW - no Plugins loaded
Daggi
Re: [OpenBabel-Devel] Problem with Win7 and MinGW - no Plugins loaded
Noel O'Boyle
Re: [OpenBabel-Devel] Problem with Win7 and MinGW - no Plugins loaded
Lenk, Dagmar
[OpenBabel-Devel] Building Babel on Mac
CHAO-JUNG LIU
Re: [OpenBabel-Devel] Building Babel on Mac
Geoffrey Hutchison
Re: [OpenBabel-Devel] Building Babel on Mac
Geoffrey Hutchison
Re: [OpenBabel-Devel] Building Babel on Mac
Fredrik Wallner
Re: [OpenBabel-Devel] Building Babel on Mac
Fredrik Wallner
[OpenBabel-Devel] CIF file to xyz without broken ends
mohan
Re: [OpenBabel-Devel] OpenBabel-Devel Digest, Vol 107, Issue 2
David Koes
[OpenBabel-Devel] pull request problem
David van der Spoel
[OpenBabel-Devel] git version of OB broken?
David van der Spoel
Re: [OpenBabel-Devel] git version of OB broken?
David van der Spoel
Re: [OpenBabel-Devel] git version of OB broken?
Noel O'Boyle
Re: [OpenBabel-Devel] git version of OB broken?
David van der Spoel
Re: [OpenBabel-Devel] git version of OB broken?
David van der Spoel
Re: [OpenBabel-Devel] git version of OB broken?
Geoffrey Hutchison
Re: [OpenBabel-Devel] git version of OB broken?
David van der Spoel
[OpenBabel-Devel] Building manual page
David van der Spoel
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