avogadro-discuss  

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• 2012/05/17 Re: [Avogadro-Discuss] Avogadro Manuscript Geoff Hutchison
• 2012/05/17 Re: [Avogadro-Discuss] [Avogadro-devel] Avogadro Manuscript Geoffrey Hutchison
• 2012/05/17 Re: [Avogadro-Discuss] Fwd: Building polymer structure Geoff Hutchison
• 2012/05/17 Re: [Avogadro-Discuss] Teaching and Walk-Throughs Jan Halborg Jensen
• 2012/05/17 Re: [Avogadro-Discuss] Teaching and Walk-Throughs Noel O'Boyle
• 2012/05/16 [Avogadro-Discuss] Fwd: Building polymer structure jyotsna tanwar
• 2012/05/16 Re: [Avogadro-Discuss] Teaching and Walk-Throughs willsd
• 2012/05/16 [Avogadro-Discuss] Teaching and Walk-Throughs Geoffrey Hutchison
• 2012/05/16 Re: [Avogadro-Discuss] Avogadro Manuscript Ismail, Fyaz
• 2012/05/16 [Avogadro-Discuss] Avogadro Manuscript Geoffrey Hutchison
• 2012/05/07 Re: [Avogadro-Discuss] Building polymer structure Geoffrey Hutchison
• 2012/05/06 [Avogadro-Discuss] Building polymer structure jyotsna tanwar
• 2012/05/03 Re: [Avogadro-Discuss] Partial Charges Geoffrey Hutchison
• 2012/05/03 [Avogadro-Discuss] Partial Charges John Doe
• 2012/04/13 Re: [Avogadro-Discuss] What trajectory formats are supported? Geoff Hutchison
• 2012/04/13 Re: [Avogadro-Discuss] What trajectory formats are supported? Tuukka Verho
• 2012/04/12 Re: [Avogadro-Discuss] What trajectory formats are supported? Tuukka Verho
• 2012/04/11 Re: [Avogadro-Discuss] What trajectory formats are supported? Geoffrey Hutchison
• 2012/04/11 [Avogadro-Discuss] What trajectory formats are supported? Tuukka Verho
• 2012/04/02 Re: [Avogadro-Discuss] Fetched Molecular Structure in Avogadro Geoff Hutchison
• 2012/04/01 [Avogadro-Discuss] Fetched Molecular Structure in Avogadro Mohammad Jane Alam
• 2012/03/28 [Avogadro-Discuss] MOPAC ESP eric henon
• 2012/03/27 Re: [Avogadro-Discuss] [OpenBabel-Devel] Problem reading a .cif file (Unknown spacegroup) Jean Bréfort
• 2012/03/27 Re: [Avogadro-Discuss] [OpenBabel-Devel] Problem reading a .cif file (Unknown spacegroup) David Lonie
• 2012/03/27 Re: [Avogadro-Discuss] [OpenBabel-Devel] Problem reading a .cif file (Unknown spacegroup) Jean Brefort
• 2012/03/27 Re: [Avogadro-Discuss] ions problem David Lonie
• 2012/03/27 [Avogadro-Discuss] ions problem Nagat Mohammed
• 2012/03/26 Re: [Avogadro-Discuss] ions in Avogadro Nagat Mohammed
• 2012/03/26 Re: [Avogadro-Discuss] ions in Avogadro Geoffrey Hutchison
• 2012/03/26 [Avogadro-Discuss] ions in Avogadro Nagat Mohammed
• 2012/03/15 Re: [Avogadro-Discuss] input file for crystal in NWchem David Lonie
• 2012/03/15 Re: [Avogadro-Discuss] input file for crystal in NWchem Geoffrey Hutchison
• 2012/03/15 Re: [Avogadro-Discuss] [Avogadro-Translations] English version of Avogadro 1.0.3 Geoffrey Hutchison
• 2012/03/15 Re: [Avogadro-Discuss] error during conformational search Ian Kirker
• 2012/03/15 Re: [Avogadro-Discuss] error during conformational search David Lonie
• 2012/03/15 Re: [Avogadro-Discuss] error during conformational search Geoffrey Hutchison
• 2012/03/15 Re: [Avogadro-Discuss] error during conformational search fbisignano
• 2012/03/15 Re: [Avogadro-Discuss] Lock Cartesian Properties of an Atom Indra Gunawan
• 2012/03/14 [Avogadro-Discuss] input file for crystal in NWchem Mohammad Jane Alam
• 2012/03/14 Re: [Avogadro-Discuss] Problem reading a .cif file (Unknown spacegroup) bessac
• 2012/03/13 Re: [Avogadro-Discuss] error during conformational search David Lonie
• 2012/03/13 [Avogadro-Discuss] error during conformational search fbisignano
• 2012/03/12 Re: [Avogadro-Discuss] Problem reading a .cif file (Unknown spacegroup) Geoffrey Hutchison
• 2012/03/11 Re: [Avogadro-Discuss] Problem reading a .cif file (Unknown spacegroup) Jean Bréfort
• 2012/03/11 Re: [Avogadro-Discuss] Problem reading a .cif file (Unknown spacegroup) David Lonie
• 2012/03/10 [Avogadro-Discuss] Problem reading a .cif file bessac
• 2012/03/03 Re: [Avogadro-Discuss] Lock Cartesian Properties of an Atom Geoff Hutchison
• 2012/02/29 [Avogadro-Discuss] Lock Cartesian Properties of an Atom Indra Gunawan
• 2012/02/24 Re: [Avogadro-Discuss] perform minimization from command prompt divya neelagiri
• 2012/02/24 Re: [Avogadro-Discuss] Electron density Geoffrey Hutchison
• 2012/02/24 Re: [Avogadro-Discuss] Forcefield setup failure Антон Л .
• 2012/02/24 [Avogadro-Discuss] Forcefield setup failure Noel O'Boyle
• 2012/02/24 [Avogadro-Discuss] Electron density g_sanjurjo
• 2012/02/23 Re: [Avogadro-Discuss] perform minimization from command prompt Geoffrey Hutchison
• 2012/02/23 [Avogadro-Discuss] perform minimization from command prompt divya neelagiri
• 2012/02/04 Re: [Avogadro-Discuss] Avogadro Gary Kedziora
• 2012/02/04 Re: [Avogadro-Discuss] Avogadro Geoff Hutchison
• 2012/01/29 Re: [Avogadro-Discuss] avogadro question Geoff Hutchison
• 2012/01/29 Re: [Avogadro-Discuss] save conformational search willsd
• 2012/01/29 Re: [Avogadro-Discuss] save conformational search Geoffrey Hutchison
• 2012/01/29 Re: [Avogadro-Discuss] $ECP group Geoff Hutchison
• 2012/01/29 [Avogadro-Discuss] save conformational search willsd
• 2012/01/29 [Avogadro-Discuss] $ECP group Nagat Mohammed
• 2012/01/25 Re: [Avogadro-Discuss] avogadro question David Lonie
• 2012/01/25 Re: [Avogadro-Discuss] avogadro question David Velasco Villamizar
• 2012/01/24 [Avogadro-Discuss] (no subject) Nagat Mohammed
• 2012/01/24 Re: [Avogadro-Discuss] avogadro question David Lonie
• 2012/01/20 Re: [Avogadro-Discuss] multi-molecule file David Lonie
• 2012/01/20 Re: [Avogadro-Discuss] multi-molecule file Florent Gout
• 2012/01/16 Re: [Avogadro-Discuss] multi-molecule file David Lonie
• 2012/01/16 Re: [Avogadro-Discuss] multi-molecule file Florent Gout
• 2012/01/16 Re: [Avogadro-Discuss] multi-molecule file David Lonie
• 2012/01/16 [Avogadro-Discuss] multi-molecule file Gout Florent
• 2012/01/02 Re: [Avogadro-Discuss] Geometry David Lonie
• 2011/12/24 [Avogadro-Discuss] Geometry Sandy
• 2011/12/22 Re: [Avogadro-Discuss] Orbital and electrostatic potential plots Jussi Lehtola
• 2011/12/22 Re: [Avogadro-Discuss] Orbital and electrostatic potential plots Geoff Hutchison
• 2011/12/21 Re: [Avogadro-Discuss] A very strange molecule Noel O'Boyle
• 2011/12/21 Re: [Avogadro-Discuss] A very strange molecule Geoff Hutchison
• 2011/12/21 [Avogadro-Discuss] Orbital and electrostatic potential plots Jussi Lehtola
• 2011/12/21 Re: [Avogadro-Discuss] [?? Probable Spam] Re: A very strange molecule Gwenael Moreau
• 2011/12/20 Re: [Avogadro-Discuss] Orbitals in avogadro [was: Avogadro on Ubuntu 11.1] Jussi Lehtola
• 2011/12/20 Re: [Avogadro-Discuss] Orbitals in avogadro [was: Avogadro on Ubuntu 11.1] Jussi Lehtola
• 2011/12/19 Re: [Avogadro-Discuss] Avogadro on Ubuntu 11.1 Geoff Hutchison
• 2011/12/19 Re: [Avogadro-Discuss] Orbitals in avogadro [was: Avogadro on Ubuntu 11.1] Geoff Hutchison
• 2011/12/19 [Avogadro-Discuss] Orbitals in avogadro [was: Avogadro on Ubuntu 11.1] Jussi Lehtola
• 2011/12/19 Re: [Avogadro-Discuss] Avogadro on Ubuntu 11.1 Geoff Hutchison
• 2011/12/19 Re: [Avogadro-Discuss] Avogadro on Ubuntu 11.1 Ian Kirker
• 2011/12/19 Re: [Avogadro-Discuss] Conformer search David Lonie
• 2011/12/19 Re: [Avogadro-Discuss] Conformer search Geoffrey Hutchison
• 2011/12/19 Re: [Avogadro-Discuss] Conformer search Geoffrey Hutchison
• 2011/12/19 Re: [Avogadro-Discuss] Conformer search David Lonie
• 2011/12/19 Re: [Avogadro-Discuss] Conformer search Noel O'Boyle
• 2011/12/19 Re: [Avogadro-Discuss] Conformer search David Lonie
• 2011/12/19 Re: [Avogadro-Discuss] Avogadro on Ubuntu 11.1 Tim
• 2011/12/19 Re: [Avogadro-Discuss] Avogadro on Ubuntu 11.1 Tim
• 2011/12/19 Re: [Avogadro-Discuss] Conformer search Geoffrey Hutchison
• 2011/12/19 Re: [Avogadro-Discuss] Avogadro on Ubuntu 11.1 Tim
• 2011/12/19 Re: [Avogadro-Discuss] Avogadro on Ubuntu 11.1 Geoffrey Hutchison
• 2011/12/19 [Avogadro-Discuss] Avogadro on Ubuntu 11.1 Tim
• 2011/12/19 [Avogadro-Discuss] Conformer search David Lonie
• 2011/12/19 Re: [Avogadro-Discuss] A very strange molecule Geoffrey Hutchison
• 2011/12/19 Re: [Avogadro-Discuss] Avogadro-Discuss Digest, Vol 28, Issue 4 Alejandro Heredia
• 2011/11/29 Re: [Avogadro-Discuss] atomic charges on each atom Ian Kirker
• 2011/11/29 Re: [Avogadro-Discuss] atomic charges on each atom Geoffrey Hutchison
• 2011/11/25 Re: [Avogadro-Discuss] atomic charges on each atom David Lonie
• 2011/11/25 Re: [Avogadro-Discuss] atomic charges on each atom Ian Kirker
• 2011/11/25 Re: [Avogadro-Discuss] atomic charges on each atom David Lonie
• 2011/11/25 [Avogadro-Discuss] atomic charges on each atom Victor Eduardo Bahamonde Padilla
• 2011/11/22 Re: [Avogadro-Discuss] Avogadro-Discuss Digest, Vol 28, Issue 3 Alejandro Heredia
• 2011/11/21 [Avogadro-Discuss] Drawing from GAMESS g_sanjurjo
• 2011/11/18 Re: [Avogadro-Discuss] problems to visualize molecules Geoff Hutchison
• 2011/11/17 Re: [Avogadro-Discuss] Status of PyQt signals Noel O'Boyle
• 2011/11/17 [Avogadro-Discuss] Status of PyQt signals Noel O'Boyle
• 2011/11/10 Re: [Avogadro-Discuss] [Avogadro-devel] Heuristic for Reading CIF / Crystal Structures? Louis Ricard
• 2011/11/10 Re: [Avogadro-Discuss] [Avogadro-devel] Heuristic for Reading CIF / Crystal Structures? David Lonie
• 2011/11/08 Re: [Avogadro-Discuss] [Avogadro-devel] Heuristic for Reading CIF / Crystal Structures? Geoffrey Hutchison
• 2011/11/07 Re: [Avogadro-Discuss] [Avogadro-devel] Heuristic for Reading CIF / Crystal Structures? David Lonie
• 2011/11/07 Re: [Avogadro-Discuss] Heuristic for Reading CIF / Crystal Structures? Geoffrey Hutchison
• 2011/11/07 Re: [Avogadro-Discuss] Heuristic for Reading CIF / Crystal Structures? David Lonie
• 2011/11/07 [Avogadro-Discuss] Heuristic for Reading CIF / Crystal Structures? Geoffrey Hutchison
• 2011/11/02 Re: [Avogadro-Discuss] Electric field and stability of a unit cell Geoff Hutchison
• 2011/10/31 [Avogadro-Discuss] Electric field and stability of a unit cell Alejandro Heredia
• 2011/10/26 [Avogadro-Discuss] Enter my e-mail Mahesh S.K
• 2011/10/20 [Avogadro-Discuss] Disulfide bond formation Vensel, William
• 2011/10/17 Re: [Avogadro-Discuss] Molecular Dynamics- Search for conformeres- output file?? Geoff Hutchison
• 2011/10/17 Re: [Avogadro-Discuss] Molecular Dynamics- Search for conformeres- output file?? Ian Kirker
• 2011/10/17 [Avogadro-Discuss] Molecular Dynamics- Search for conformeres- output file?? Laura Wollny
• 2011/10/09 Re: [Avogadro-Discuss] Avogadro and Ubuntu Steven Wathen
• 2011/10/09 [Avogadro-Discuss] Avogadro and Ubuntu Donnet_Eric
• 2011/10/08 [Avogadro-Discuss] Distance constraints over 5.0 Ångström Tenebrosus Scriptor
• 2011/09/29 Re: [Avogadro-Discuss] Drawing cyclopentadiene in avogadro Geoffrey Hutchison
• 2011/09/27 Re: [Avogadro-Discuss] FF Optimisation with PBC Ian Kirker
• 2011/09/27 Re: [Avogadro-Discuss] FF Optimisation with PBC Geoffrey Hutchison
• 2011/09/27 [Avogadro-Discuss] FF Optimisation with PBC Ian Kirker
• 2011/09/21 Re: [Avogadro-Discuss] Avogadro is changing bonds from saved file Geoffrey Hutchison
• 2011/09/21 [Avogadro-Discuss] Avogadro is changing bonds from saved file George Barbosa
• 2011/09/21 [Avogadro-Discuss] Drawing cyclopentadiene in avogadro nvhorsten1805
• 2011/09/12 Re: [Avogadro-Discuss] Help! Geoffrey Hutchison
• 2011/09/11 [Avogadro-Discuss] Help! Wei-Jo Yu
• 2011/09/06 Re: [Avogadro-Discuss] citation Steve Williams
• 2011/09/06 Re: [Avogadro-Discuss] citation David Lonie
• 2011/09/06 [Avogadro-Discuss] citation Steve Williams
• 2011/08/30 Re: [Avogadro-Discuss] Gaussian Z matrices Geoff Hutchison
• 2011/08/29 [Avogadro-Discuss] Gaussian Z matrices David Condon
• 2011/08/24 Re: [Avogadro-Discuss] Orbital / density plot in Avogadro Jussi Lehtola
• 2011/08/24 Re: [Avogadro-Discuss] Orbital / density plot in Avogadro Geoffrey Hutchison
• 2011/08/23 Re: [Avogadro-Discuss] [CCDC #29719] distributable small CIF database Geoffrey Hutchison
• 2011/08/17 Re: [Avogadro-Discuss] Crystal Library Geoffrey Hutchison
• 2011/08/17 Re: [Avogadro-Discuss] Crystal Library Steve Williams
• 2011/08/17 Re: [Avogadro-Discuss] Crystal Library Geoffrey Hutchison
• 2011/08/17 Re: [Avogadro-Discuss] Crystal Structure and QC José Fernando Ruggiero Bachega
• 2011/08/17 Re: [Avogadro-Discuss] Crystal Structure and QC Geoff Hutchison
• 2011/08/16 [Avogadro-Discuss] Crystal Structure and QC José Fernando Ruggiero Bachega
• 2011/08/16 Re: [Avogadro-Discuss] Crystal Library willsd
• 2011/08/16 Re: [Avogadro-Discuss] Crystal Library Geoff Hutchison
• 2011/08/16 Re: [Avogadro-Discuss] Crystal Library Steve Williams
• 2011/08/16 [Avogadro-Discuss] Crystal Library Geoffrey Hutchison
• 2011/08/09 Re: [Avogadro-Discuss] Fwd: Alpha version of KIM API released! José Fernando Ruggiero Bachega
• 2011/08/09 [Avogadro-Discuss] Fwd: Alpha version of KIM API released! Geoffrey Hutchison
• 2011/07/29 Re: [Avogadro-Discuss] Orbital / density plot in Avogadro GH.net IMAP
• 2011/07/29 Re: [Avogadro-Discuss] python scripting on windows GH.net IMAP
• 2011/07/29 Re: [Avogadro-Discuss] Orbital / density plot in Avogadro Jussi Lehtola
• 2011/07/29 [Avogadro-Discuss] python scripting on windows Steven Wathen
• 2011/07/24 Re: [Avogadro-Discuss] unit cell David Lonie
• 2011/07/24 [Avogadro-Discuss] unit cell hadiksb
• 2011/07/19 [Avogadro-Discuss] Issue with energy minimization Gustaf Olsson
• 2011/07/18 Re: [Avogadro-Discuss] Avogadro Extensions in general David Lonie
• 2011/07/18 Re: [Avogadro-Discuss] Avogadro Extensions in general Geoffrey Hutchison
• 2011/07/18 [Avogadro-Discuss] Avogadro Extensions in general Charles Korb
• 2011/07/14 [Avogadro-Discuss] Is it possible to draw transparent spheres from Python extension? Noel O'Boyle
• 2011/07/13 [Avogadro-Discuss] Python version of Avogadro 1.0.3 for Windows Noel O'Boyle
• 2011/07/12 Re: [Avogadro-Discuss] Orbital / density plot in Avogadro Jussi Lehtola
• 2011/07/12 Re: [Avogadro-Discuss] Orbital / density plot in Avogadro Noel O'Boyle
• 2011/07/12 Re: [Avogadro-Discuss] Orbital / density plot in Avogadro Geoffrey Hutchison
• 2011/07/12 [Avogadro-Discuss] Orbital / density plot in Avogadro Jussi Lehtola
• 2011/07/07 [Avogadro-Discuss] Read molecule using python Stewart Wenner
• 2011/07/07 Re: [Avogadro-Discuss] segfault for addBond() in python extension Noel O'Boyle
• 2011/07/06 Re: [Avogadro-Discuss] double bonds in avogadro Geoffrey Hutchison
• 2011/07/06 Re: [Avogadro-Discuss] double bonds in avogadro David Lonie
• 2011/07/06 [Avogadro-Discuss] double bonds in avogadro Peter Schellenberg
• 2011/07/06 Re: [Avogadro-Discuss] segfault for addBond() in python extension Geoffrey Hutchison
• 2011/07/03 [Avogadro-Discuss] segfault for addBond() in python extension Rochus Schmid
• 2011/06/28 Re: [Avogadro-Discuss] povray extension and force engine and Geoffrey Hutchison
• 2011/06/28 Re: [Avogadro-Discuss] Population analysis Geoffrey Hutchison
• 2011/06/13 [Avogadro-Discuss] Population analysis Pierre Vitorge
• 2011/06/12 [Avogadro-Discuss] povray extension and force engine and Robert W. Gora
• 2011/05/28 Re: [Avogadro-Discuss] Export Bond Properties to Excel Jens Thomas
• 2011/05/24 [Avogadro-Discuss] conformational search: method and units alparone
• 2011/05/24 Re: [Avogadro-Discuss] display external forces Geoffrey Hutchison
• 2011/05/24 Re: [Avogadro-Discuss] display external forces Noel O'Boyle
• 2011/05/24 Re: [Avogadro-Discuss] display external forces Jaap Kroes
• 2011/05/23 Re: [Avogadro-Discuss] Export Bond Properties to Excel Geoffrey Hutchison
• 2011/05/23 Re: [Avogadro-Discuss] display external forces Geoffrey Hutchison
• 2011/05/23 [Avogadro-Discuss] display external forces Jaap Kroes
• 2011/05/22 Re: [Avogadro-Discuss] Rotate molecule with Avogadro using python script Noel O'Boyle
• 2011/05/20 Re: [Avogadro-Discuss] Rotate molecule with Avogadro using python script Archambault Fabien
• 2011/05/19 Re: [Avogadro-Discuss] Rotate molecule with Avogadro using python script Fabien Archambault
• 2011/05/19 Re: [Avogadro-Discuss] Rotate molecule with Avogadro using python script Geoffrey Hutchison
• 2011/05/19 Re: [Avogadro-Discuss] Rotate molecule with Avogadro using python script Archambault Fabien

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