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gabedit

graphical user interface to Ab Initio packages

Variants:
Gabedit is a graphical user interface to computational chemistry packages like:

- 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.

Homepage:
Package version:2.4.2-2
Architecture:powerpc
Distribution:Debian
Filename:gabedit_2.4.2-2_powerpc.deb

/usr/share/man/man1/gabedit.1.gz

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»

/usr/share/doc/gabedit/changelog.Debian.gz

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»

/usr/share/doc/gabedit/changelog.gz

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»

/usr/share/doc/gabedit/copyright

This package was debianized by Daniel Leidert (dale) <daniel.leidert@wgdd.de>
on Thu,  2 Sep 2004 23
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