Дерево:
e161958bab
11.0
12.0
12.1
12.2
13.0
13.1
13.37
14.0
14.1
14.2
15.0
bedlam
bedlam-name-fixes
dive
erik
gitignore
libressl-gopher-test
master
misc-fixes
python-renames
rworkman
urchlay
user/aclemons/updates
user/anddt/development/acpica
user/anddt/development/glm
user/anddt/development/gnustep-base
user/anddt/development/gnustep-make
user/anddt/games/assaultcube-reloaded
user/anddt/games/doomseeker
user/anddt/games/prboom-plus
user/anddt/games/rocksndiamonds
user/anddt/games/rottexpr
user/anddt/games/srb2
user/anddt/graphics/blender
user/anddt/graphics/maim
user/anddt/ham/chirp
user/anddt/ham/hamlib
user/anddt/libraries/girara
user/anddt/libraries/goffice
user/anddt/libraries/gtksourceview4
user/anddt/libraries/imlib2
user/anddt/libraries/jsoncpp
user/anddt/libraries/libnova
user/anddt/libraries/libopenmpt
user/anddt/libraries/libtorrent
user/anddt/libraries/wxGTK3
user/anddt/libraries/xmlrpc-c
user/anddt/misc/discount
user/anddt/misc/slop
user/anddt/network/nethogs
user/anddt/network/putty
user/anddt/network/rclone
user/anddt/network/rtorrent
user/anddt/network/sshguard
user/anddt/network/strongswan
user/anddt/network/umurmur
user/anddt/network/yt-dlp
user/anddt/network/znc
user/anddt/office/gnumeric
user/anddt/office/sigil
user/anddt/system/FontAwesome
user/anddt/system/conky
user/anddt/system/fakeroot
user/anddt/system/hplip-plugin
user/anddt/system/postgresql
user/anddt/system/testdisk
user/anddt/system/worker
user/anddt/system/xen
user/anddt/system/zzzfm
user/belka/updates
user/chris.willing/updates
user/dslackw/updates
user/elyk/updates
user/kingbeowulf/updates
user/mario/updates
user/ponce/updates
user/pprkut/updates
willysr
wxWidgets-wip
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Giancarlo Dessì
4754d8ddf2
academic/Gabedit: Added (Graphical UI to computational chemistry)
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2 роки тому | |
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| Gabedit.SlackBuild | 4754d8ddf2 academic/Gabedit: Added (Graphical UI to computational chemistry) | 2 роки тому |
| Gabedit.info | 4754d8ddf2 academic/Gabedit: Added (Graphical UI to computational chemistry) | 2 роки тому |
| README | 4754d8ddf2 academic/Gabedit: Added (Graphical UI to computational chemistry) | 2 роки тому |
| doinst.sh | 4754d8ddf2 academic/Gabedit: Added (Graphical UI to computational chemistry) | 2 роки тому |
| slack-desc | 4754d8ddf2 academic/Gabedit: Added (Graphical UI to computational chemistry) | 2 роки тому |
README
Gabedit is a graphical user interface to computational chemistry
packages like deMon2k, Gamess-US, Gaussian, Molcas, Molpro, MPQC,
MOPAC, Orca, PCGamess and Q-Chem.
It can display a variety of calculation results including support for
most major molecular file formats. The advanced "Molecule Builder"
allows to rapidly sketch in molecules and examine them in 3D. Graphics
can be exported to various formats, including animations.
packages like deMon2k, Gamess-US, Gaussian, Molcas, Molpro, MPQC,
MOPAC, Orca, PCGamess and Q-Chem.
It can display a variety of calculation results including support for
most major molecular file formats. The advanced "Molecule Builder"
allows to rapidly sketch in molecules and examine them in 3D. Graphics
can be exported to various formats, including animations.