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sci-chemistry/ghemical

Chemical quantum mechanics and molecular mechanics

Screenshots

  • ghemical-2.95
    ~amd64 ~x86
    threads openbabel seamonkey
    View      Download      License: GPL-2
  • ghemical-2.10
    ~amd64 ~x86
    threads openbabel gamess mopac7 toolbar seamonkey
    View      Download      License: GPL-2
  • ghemical-2.01
    ppc x86
    threads openbabel toolbar
    View      Download      License: GPL-2

USE Flags

threads
Global: Adds threads support for various packages. Usually pthreads
openbabel
Global: Use the OpenBabel package for file conversions
Local: Use the OpenBabel package for file conversions
seamonkey
Global: Adds support for the Seamonkey web-browser
gamess
Global: Add GAMESS interface for QM/MM.
Local: Add GAMESS interface for QM/MM.
mopac7
Global: Apply compilation fix for mopac7 support.
Local: Apply compilation fix for mopac7 support.
toolbar
Global: Include toolbar feature
Local: Build the shortcuts toolbar