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

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