biology/gabedit - The NetBSD Packages Collection

Graphical User Interface to computational chemistry packages

Gabedit is a graphical user interface to computational chemistry
packages like Gamess-US, Gaussian, Molcas, Molpro, MPQC,
OpenMopac, 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.

Major features

 * Gabedit can create input file for GAMESS(US), GAUSSIAN,
   MOLCAS, MOLPRO , MPQC, OpenMopac, Orca, PCGamess and Q-Chem.
 * Gabedit can graphically display a variety of Gamess-US,
   Gaussian, Molcas, Molpro, MPQC, OpenMopac, Orca, PCGamess,
   Q-Chem, (partially) ErgoSCF and (partially) ADF calculation
   results, including the following:
     + Molecular orbitals.
     + Surfaces from the electron density, electrostatic
       potential, NMR shielding density, and other properties.
     + Surfaces may be displayed in solid, translucent and wire
       mesh modes. they are can be colorcoded by a separate property.
     + Contours (colorcoded), Planes colorcoded, Dipole. XYZ axes
       and the principal axes of the molecule.
     + Animation of the normal modes corresponding to vibrational
       frequencies.
     + Animation of the rotation of geometry, surfaces, contours,
       planes colorcoded, xyz and the principal axes of the molecule.
     + Animation of contours, Animation of planes colorcoded.
 * Gabedit can display UV-Vis, IR and Raman computed spectra.
 * Gabedit can generate a povray file for geometry (including
   hydrogen's bond),surfaces (including colorcoded surfaces),
   contours, planes colorcoded.
 * Gabedit can save picture in BMP, JPEG, PNG, PPM and PS format.
 * Gabedit can generate automatically a series of pictures
   for animation (vibration, geometry convergence, rotation, contours,
   planes colorcoded).
 * Simulated Annealing with Molecular Dynamics is implemented in Gabedit
   (using Amber 99 molecular mechanics parameters).

Build dependencies

pkgtools/x11-links x11/xorgproto x11/xcb-proto pkgtools/cwrappers devel/glib2-tools devel/gmake devel/pkgconf

Runtime dependencies

x11/gtk2 graphics/gtkglext x11/gtk2 graphics/gtkglext

Binary packages

OSArchitectureVersion
NetBSD 8.0earmv7hfgabedit-2.4.8nb11.tgz
NetBSD 8.0earmv7hfgabedit-2.4.8nb11.tgz
NetBSD 8.0earmv7hfgabedit-2.4.8nb11.tgz
NetBSD 8.0i386gabedit-2.4.8nb11.tgz
NetBSD 8.0i386gabedit-2.4.8nb11.tgz
NetBSD 8.0powerpcgabedit-2.4.8nb11.tgz
NetBSD 8.0powerpcgabedit-2.4.8nb11.tgz
NetBSD 8.0powerpcgabedit-2.4.8nb11.tgz
NetBSD 8.0powerpcgabedit-2.4.8nb11.tgz
NetBSD 8.0x86_64gabedit-2.4.8nb11.tgz
NetBSD 8.0x86_64gabedit-2.4.8nb11.tgz
NetBSD 9.0aarch64gabedit-2.4.8nb11.tgz
NetBSD 9.0aarch64gabedit-2.4.8nb11.tgz
NetBSD 9.0aarch64gabedit-2.4.8nb11.tgz
NetBSD 9.0alphagabedit-2.4.8nb11.tgz
NetBSD 9.0alphagabedit-2.4.8nb11.tgz
NetBSD 9.0alphagabedit-2.4.8nb11.tgz
NetBSD 9.0earmv6hfgabedit-2.4.8nb11.tgz
NetBSD 9.0earmv6hfgabedit-2.4.8nb11.tgz
NetBSD 9.0earmv6hfgabedit-2.4.8nb11.tgz
NetBSD 9.0earmv7hfgabedit-2.4.8nb11.tgz
NetBSD 9.0earmv7hfgabedit-2.4.8nb11.tgz
NetBSD 9.0earmv7hfgabedit-2.4.8nb11.tgz
NetBSD 9.0earmv7hfgabedit-2.4.8nb11.tgz
NetBSD 9.0i386gabedit-2.4.8nb11.tgz
NetBSD 9.0i386gabedit-2.4.8nb11.tgz
NetBSD 9.0i386gabedit-2.4.8nb11.tgz
NetBSD 9.0mips64ebgabedit-2.4.8nb11.tgz
NetBSD 9.0mips64ebgabedit-2.4.8nb11.tgz
NetBSD 9.0mips64ebgabedit-2.4.8nb11.tgz
NetBSD 9.0mips64ebgabedit-2.4.8nb11.tgz
NetBSD 9.0mips64ebgabedit-2.4.8nb11.tgz
NetBSD 9.0powerpcgabedit-2.4.8nb11.tgz
NetBSD 9.0powerpcgabedit-2.4.8nb11.tgz
NetBSD 9.0powerpcgabedit-2.4.8nb11.tgz
NetBSD 9.0powerpcgabedit-2.4.8nb11.tgz
NetBSD 9.0sparc64gabedit-2.4.8nb11.tgz
NetBSD 9.0sparc64gabedit-2.4.8nb11.tgz
NetBSD 9.0sparc64gabedit-2.4.8nb11.tgz
NetBSD 9.0sparcgabedit-2.4.8nb11.tgz
NetBSD 9.0sparcgabedit-2.4.8nb11.tgz
NetBSD 9.0sparcgabedit-2.4.8nb11.tgz
NetBSD 9.0sparcgabedit-2.4.8nb11.tgz
NetBSD 9.0x86_64gabedit-2.4.8nb11.tgz
NetBSD 9.0x86_64gabedit-2.4.8nb11.tgz
NetBSD 9.0x86_64gabedit-2.4.8nb11.tgz
NetBSD 9.0x86_64gabedit-2.4.8nb11.tgz
NetBSD 9.0x86_64gabedit-2.4.8nb11.tgz

Binary packages can be installed with the high-level tool pkgin (which can be installed with pkg_add) or pkg_add(1) (installed by default). The NetBSD packages collection is also designed to permit easy installation from source.

Available build options

(none)

Known vulnerabilities

The pkg_admin audit command locates any installed package which has been mentioned in security advisories as having vulnerabilities.

Please note the vulnerabilities database might not be fully accurate, and not every bug is exploitable with every configuration.


Problem reports, updates or suggestions for this package should be reported with send-pr.