Messages by Thread
-
[OpenBabel-Devel] hin-format upgrade
Igor Leontyev via OpenBabel-Devel
-
[OpenBabel-Devel] Open Babel website
Geoffrey Hutchison
-
[OpenBabel-Devel] Non-integer bond orders for resonant groups
David van der Spoel
-
[OpenBabel-Devel] charge for bond order perception
Marie-Madeleine Walz
-
[OpenBabel-Devel] bondtyper.cpp
David van der Spoel
-
[OpenBabel-Devel] mmCIF element parsing bug
Stefano Forli
-
[OpenBabel-Devel] Installing on MacOS
David van der Spoel
-
[OpenBabel-Devel] Python bindings for 3.1.1
Noel O'Boyle
-
[OpenBabel-Devel] Setting a security policy for Open Babel?
Geoffrey Hutchison
-
[OpenBabel-Devel] script bindings / Use of EXTERN in headers
Geoffrey Hutchison
-
[OpenBabel-Devel] Last call for 3.0.1 release
Geoffrey Hutchison
-
[OpenBabel-Devel] Migrating to GitHub build actions
Geoffrey Hutchison
-
[OpenBabel-Devel] Travis CI no longer running on PRs
Noel O'Boyle
-
[OpenBabel-Devel] Hardening Open Babel (i.e. fuzzing)
Geoffrey Hutchison
-
[OpenBabel-Devel] Fixing distance geometry stereo issue
Tim Vandermeersch
-
[OpenBabel-Devel] If someone had time on their hands (now) …
Geoffrey Hutchison
-
[OpenBabel-Devel] Mixed compilation does not compile novel plugin
Rodrigo Quiroga
-
[OpenBabel-Devel] Willing to contribute to Openbabel
Hashim Chaudhry
-
[OpenBabel-Devel] Problem with reading the Gaussian G4 calculations
Mohammad Mehdi Ghahremanpour
-
[OpenBabel-Devel] Docs on handling of stereo
Noel O'Boyle
-
[OpenBabel-Devel] Why are there plugins?
David van der Spoel
-
[OpenBabel-Devel] Hydrogen management bug
David van der Spoel
-
[OpenBabel-Devel] fatal error: 'maeparser/Writer.hpp' file not found
Mohammad Ghahremanpour
-
[OpenBabel-Devel] cmake configuration
Koes, David
-
Re: [OpenBabel-Devel] [AMBER] PDB CONECT issues with OpenBabel 3.0 and antechamber from Elvis Martis on 2019-10-10 (Amber Archive Oct 2019)
Noel O'Boyle
-
[OpenBabel-Devel] FindForceField returns nullptr
David van der Spoel
-
[OpenBabel-Devel] Algorithm for FF atomtypes
David van der Spoel
-
[OpenBabel-Devel] 3.0 release?
Geoffrey Hutchison
-
[OpenBabel-Devel] Visual studio version
Michel
-
[OpenBabel-Devel] Packaging 3.0.0a2
Geoffrey Hutchison
-
[OpenBabel-Devel] Default force field option for --gen3d
Geoffrey Hutchison
-
[OpenBabel-Devel] 3.0.0alpha 1
Geoffrey Hutchison
-
Re: [OpenBabel-Devel] Docker files...
Geoffrey Hutchison
-
[OpenBabel-Devel] Source release
Noel O'Boyle
-
[OpenBabel-Devel] C++11 requirement for 3.0 release (and going forward)?
Geoffrey Hutchison
-
[OpenBabel-Devel] Open Babel 3.0.0a1 tagged
Noel O'Boyle
-
[OpenBabel-Devel] Release Schedule
Noel O'Boyle
-
[OpenBabel-Devel] PDB files with multiple bonds via CONECT
Geoffrey Hutchison
-
[OpenBabel-Devel] Stereochemistry check using InChIKey
Naruki Yoshikawa
-
[OpenBabel-Devel] maeparser depends on boost iostreams, can openbabel use it?
Patrick Lorton
-
Re: [OpenBabel-Devel] maeparser depends on boost iostreams, can openbabel use it?
Noel O'Boyle
-
Re: [OpenBabel-Devel] maeparser depends on boost iostreams, can openbabel use it?
Patrick Lorton
-
Re: [OpenBabel-Devel] maeparser depends on boost iostreams, can openbabel use it?
Geoffrey Hutchison
-
Re: [OpenBabel-Devel] maeparser depends on boost iostreams, can openbabel use it?
Patrick Lorton
-
Re: [OpenBabel-Devel] maeparser depends on boost iostreams, can openbabel use it?
Koes, David
-
Re: [OpenBabel-Devel] maeparser depends on boost iostreams, can openbabel use it?
Koes, David
-
Re: [OpenBabel-Devel] maeparser depends on boost iostreams, can openbabel use it?
Patrick Lorton
-
Re: [OpenBabel-Devel] maeparser depends on boost iostreams, can openbabel use it?
Noel O'Boyle
-
[OpenBabel-Devel] GSoC 2019 project introduction
Naruki Yoshikawa
-
[OpenBabel-Devel] Removal of babel
Noel O'Boyle
-
[OpenBabel-Devel] Atom and bond manipulation
Noel O'Boyle
-
[OpenBabel-Devel] Towards a release
Noel O'Boyle
-
[OpenBabel-Devel] Depict molecule on qt
jmsuarez
-
[OpenBabel-Devel] Getting corresponding bonds and angles from two molecules
Naruki Yoshikawa
-
[OpenBabel-Devel] Can not find force field
David van der Spoel
-
[OpenBabel-Devel] Regarding the use of openbabel API
Anas Khan
-
[OpenBabel-Devel] OBOp
jmsuarez
-
[OpenBabel-Devel] From string to stringstream
jss193 via OpenBabel-Devel
-
Re: [OpenBabel-Devel] OpenBabel-Devel Digest, Vol 142, Issue 4
TJ O'Donnell
-
[OpenBabel-Devel] OBabel in QtCreator
jss193 via OpenBabel-Devel
-
[OpenBabel-Devel] GSoC project completion
Naruki Yoshikawa
-
[OpenBabel-Devel] Failing master
Noel O'Boyle
-
[OpenBabel-Devel] Proposal to remove "Unset" functions for flags
Noel O'Boyle
-
[OpenBabel-Devel] Protein PDB to PDBQT format (+ PDBQ
sherron via OpenBabel-Devel
-
[OpenBabel-Devel] Getting rid of all warnings
David van der Spoel
-
[OpenBabel-Devel] does OpenBabel support HIPEigen?
Eugen Leitl
-
Re: [OpenBabel-Devel] [Open Babel] Error on installing openbabel-2.4.1
Noel O'Boyle
-
[OpenBabel-Devel] Modest Proposal - Gen3D won't do conformer searching
Geoffrey Hutchison