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- MPQC - GAMESS-US - Gaussian - Molcas - Molpro - Q-Chem
These Ab Initio software packages might run locally or on a remote server (supporting FTP, RSH and SSH). Gabedit can display a variety of calculation results including most major molecular file formats. The advanced "Molecule Builder" allows one to rapidly sketch in molecules and examine them in 3D. Graphics can further be exported to various formats, including animations.
GABEDIT(1) User Manual GABEDIT(1) NAME gabedit - graphical user interface (GUI) to computational chemistry packages SYNOPSIS gabedit [filename] DESCRIPTION gabedit is a graphical user interface (GUI) to computational chemistry (Ab Initio) packages like: GAMESS-US, Gaussian, Molcas, Molpro, MPQC, Q-Chem, th more»
gabedit (2.4.2-2) unstable; urgency=low * debian/compat: Bumped dh compatibility level to 7. * debian/control (Build-Depends): Bumped debhelper version. (Suggests): Removed povray, not longer available in Debian. * debian/rules: Rewritten for dh 7. Make use of dpkg-buildflags. * debian/README.source: Dropped obsolete file. * debian/TODO: Ditto. * debian/patches/hardening_fix.patch more»
08 Marsh 2012 : read gamess geometries in Display window : bug fixed 02 Marsh 2012 : NBO basis (file .31) : read any type of orbitals 27 February 2012 : NBO basis (file .31) : read geometry 06 October 2011 : Orca input file : constraint removed if no fixed atom. 03 October 2011 : Bug fixed for saving geometry in mol format 15 September 2011 : Bug fixed for reading orbitals from a ORCA more»
This package was debianized by Daniel Leidert (dale) <firstname.lastname@example.org> on Thu, 2 Sep 2004 23 more»