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sci-chemistry/openbabel

Interconverts file formats used in molecular modeling

Screenshots

  • openbabel-9999
    cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets python_targets_python3_10 python_targets_python3_11

    View      Download      Browse     License: GPL-2   
    Overlay: gentoo
  • openbabel-3.1.1_p20210225-r1
    amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~ppc-macos
    cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets python_targets_python3_10 python_targets_python3_11

    View      Download      Browse     License: GPL-2   
    Overlay: gentoo
  • openbabel-3.1.1_p20210225
    amd64 ~arm ~x86 ~amd64-linux ~x86-linux ~ppc-macos
    cpu_flags_arm_neon cpu_flags_x86_sse2 cpu_flags_x86_sse4_2 doc examples +inchi json minimal openmp perl png python test wxwidgets python_targets_python3_10 python_targets_python3_11

    View      Download      Browse     License: GPL-2   
    Overlay: gentoo

Runtime Dependencies

openbabel-9999

dev-cpp/eigen:3
dev-libs/libxml2:2
sys-libs/zlib:=

inchi?
      ( sci-libs/inchi )

json?
      ( >=dev-libs/rapidjson-1.1.0 )

png?
      ( x11-libs/cairo )

python?
      ( python_targets_python3_10?
            ( dev-lang/python:3.10 )
       python_targets_python3_11?
            ( dev-lang/python:3.11 )
       )

wxwidgets?
      ( x11-libs/wxGTK:3.2-gtk3[X] )

perl?
      ( dev-lang/perl:= !sci-chemistry/openbabel-perl )

openbabel-3.1.1_p20210225-r1

dev-cpp/eigen:3
dev-libs/libxml2:2
sys-libs/zlib:=

inchi?
      ( sci-libs/inchi )

json?
      ( >=dev-libs/rapidjson-1.1.0 )

png?
      ( x11-libs/cairo )

python?
      ( python_targets_python3_10?
            ( dev-lang/python:3.10 )
       python_targets_python3_11?
            ( dev-lang/python:3.11 )
       )

wxwidgets?
      ( x11-libs/wxGTK:3.2-gtk3[X] )

perl?
      ( dev-lang/perl:= !sci-chemistry/openbabel-perl )

openbabel-3.1.1_p20210225

dev-cpp/eigen:3
dev-libs/libxml2:2
sys-libs/zlib:=

inchi?
      ( sci-libs/inchi )

json?
      ( >=dev-libs/rapidjson-1.1.0 )

png?
      ( x11-libs/cairo )

python?
      ( python_targets_python3_10?
            ( dev-lang/python:3.10 )
       python_targets_python3_11?
            ( dev-lang/python:3.11 )
       )

wxwidgets?
      ( x11-libs/wxGTK:3.0-gtk3[X] )

perl?
      ( dev-lang/perl:= !sci-chemistry/openbabel-perl )