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Source: gabedit
Section: science
Priority: optional
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Uploaders: Daniel Leidert <dleidert@debian.org>
Build-Depends: debhelper-compat (= 12),
libgl1-mesa-dev | libgl-dev,
libgl2ps-dev,
libglib2.0-dev,
libglu1-mesa-dev | libglu-dev,
libgtk2.0-dev,
libgtkglext1-dev,
libsymspg-dev,
libpango1.0-dev,
pkg-config,
xutils-dev
Standards-Version: 4.6.0
Rules-Requires-Root: no
Homepage: https://sites.google.com/site/allouchear/Home/gabedit
Vcs-Browser: https://salsa.debian.org/debichem-team/gabedit
Vcs-Git: https://salsa.debian.org/debichem-team/gabedit.git
Package: gabedit
Architecture: any
Depends: openbabel,
${misc:Depends},
${shlibs:Depends}
Recommends: mpqc
Suggests: a2ps,
cups-bsd | lpr,
ftp-ssl | ftp,
openssh-client | rsh-client,
openssh-client | ssh-client,
slurm-wlm-torque | gridengine-client
Description: graphical user interface to Ab Initio packages
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.
.
slurm-wlm-torque and gridengine-client are workload managers which
provide wrappers for PBS commands. Gabedit also allows one to
configure it for any other workload manager.
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