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Пакунок: gabedit (2.5.1+ds-1)

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.

Інші пакунки пов'язані з gabedit

  • depends
  • recommends
  • suggests
  • dep: libc6 (>= 2.34)
    GNU C Library: Shared libraries
    also a virtual package provided by libc6-udeb
  • dep: libcairo2 (>= 1.6.0)
    Cairo 2D vector graphics library
  • dep: libgdk-pixbuf-2.0-0 (>= 2.22.0)
    GDK Pixbuf library
  • dep: libgl1
    Vendor neutral GL dispatch library -- legacy GL support
  • dep: libgl2ps1.4 (>= 1.4.2+dfsg1)
    Lib providing high quality vector output for OpenGL application
  • dep: libglib2.0-0 (>= 2.41.1)
    GLib library of C routines
  • dep: libglu1-mesa
    Mesa OpenGL utility library (GLU)
    or libglu1
    virtual package provided by libglu1-mesa
  • dep: libgomp1 (>= 4.9)
    GCC OpenMP (GOMP) support library
  • dep: libgtk2.0-0 (>= 2.8.0)
    GTK graphical user interface library - old version
  • dep: libgtkglext1
    OpenGL Extension to GTK+ (shared libraries)
  • dep: libpango-1.0-0 (>= 1.14.0)
    Layout and rendering of internationalized text
  • dep: libpangocairo-1.0-0 (>= 1.14.0)
    Layout and rendering of internationalized text
  • dep: libpangoft2-1.0-0 (>= 1.14.0)
    Layout and rendering of internationalized text
  • dep: libsymspg1 (>= 1.16.1)
    C library for crystal symmetry determination
  • dep: openbabel
    Chemical toolbox utilities (cli)
  • rec: mpqc
    Massively Parallel Quantum Chemistry Program
  • sug: a2ps
    GNU a2ps - 'Anything to PostScript' converter and pretty-printer
  • sug: cups-bsd
    Common UNIX Printing System(tm) - BSD commands
    or lpr
    BSD lpr/lpd line printer spooling system
    also a virtual package provided by cups-bsd, lprng
  • sug: ftp-ssl
    FTP client with SSL or TLS encryption support
    or ftp
    dummy transitional package for tnftp
    also a virtual package provided by ftp-ssl, tnftp
  • sug: openssh-client
    secure shell (SSH) client, for secure access to remote machines
    or rsh-client
    client programs for remote shell connections
    also a virtual package provided by openssh-client
  • sug: openssh-client
    secure shell (SSH) client, for secure access to remote machines
    or ssh-client
    virtual package provided by openssh-client
  • sug: slurm-wlm-torque
    Torque compatibility wrappers for SLURM
    or gridengine-client
    Utilities for Grid Engine queue management

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