ghemical-3.0.0-2.3.x86_64.rpm


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Description

ghemical - The MM and QM calculations frontend

Distribution: openSUSE 42.1
Repository: openSUSE Education all
Package name: ghemical
Package version: 3.0.0
Package release: 2.3
Package architecture: x86_64
Package type: rpm
Installed size: 2.24 MB
Download size: 1.64 MB
Official Mirror: ftp.gwdg.de
Ghemical is a computational chemistry software package released under the GNU GPL. Ghemical is written in C++. It has a graphical user interface (in fact, a couple of them), and it supports both quantum-mechanics (semi-empirical and ab initio) models and molecular mechanics models (there is an experimental Tripos 5.2-like force field for organic molecules). Also a tool for reduced protein models is included. Geometry optimization, molecular dynamics and a large set of visualization tools are currently available.

Alternatives

Provides

  • ghemical = 3.0.0-2.3
  • ghemical(x86-64) = 3.0.0-2.3

    Download

    Install Howto

    1. Add the openSUSE Education repository:
      # zypper addrepo http://ftp.gwdg.de/pub/opensuse/repositories/Education/openSUSE_Leap_42.1/ opensuse-education
    2. Install ghemical rpm package:
      # zypper install ghemical

    Files

    • /usr/bin/ghemical
    • /usr/share/ghemical/
    • /usr/share/ghemical/3.0.0/
    • /usr/share/ghemical/3.0.0/examples/2-chlorobutane.gpr
    • /usr/share/ghemical/3.0.0/examples/3-phenylpropanal.gpr
    • /usr/share/ghemical/3.0.0/examples/PeriodicTable.gpr
    • /usr/share/ghemical/3.0.0/examples/acetylsalicylic_acid.gpr
    • /usr/share/ghemical/3.0.0/examples/alpha-pinene.gpr
    • /usr/share/ghemical/3.0.0/examples/bromobenzene.gpr
    • /usr/share/ghemical/3.0.0/examples/camphor.gpr
    • /usr/share/ghemical/3.0.0/examples/cinnamaldehyde.gpr
    • /usr/share/ghemical/3.0.0/examples/cis-2-pentene.gpr
    • /usr/share/ghemical/3.0.0/examples/cyclohexane.gpr
    • /usr/share/ghemical/3.0.0/examples/dna_AGTC.gpr
    • /usr/share/ghemical/3.0.0/examples/naphtalene.gpr
    • /usr/share/ghemical/3.0.0/examples/rna_aguc.gpr
    • /usr/share/ghemical/3.0.0/examples/transition_state_search/
    • /usr/share/ghemical/3.0.0/examples/transition_state_search/E2-reaction/products.gpr
    • /usr/share/ghemical/3.0.0/examples/transition_state_search/E2-reaction/reactants.gpr
    • /usr/share/ghemical/3.0.0/examples/transition_state_search/E2-reaction/ts.gpr
    • /usr/share/ghemical/3.0.0/examples/transition_state_search/SN2-reaction/products.gpr
    • /usr/share/ghemical/3.0.0/examples/transition_state_search/SN2-reaction/reactants.gpr
    • /usr/share/ghemical/3.0.0/examples/transition_state_search/SN2-reaction/ts.gpr
    • /usr/share/ghemical/3.0.0/examples/transition_state_search/carbocation_rearrangement_hydride_shift/products.gpr
    • /usr/share/ghemical/3.0.0/examples/transition_state_search/carbocation_rearrangement_hydride_shift/reactants.gpr
    • /usr/share/ghemical/3.0.0/examples/transition_state_search/carbocation_rearrangement_hydride_shift/ts.gpr
    • /usr/share/ghemical/3.0.0/examples/transition_state_search/carbocation_rearrangement_methide_shift/products.gpr
    • /usr/share/ghemical/3.0.0/examples/transition_state_search/carbocation_rearrangement_methide_shift/reactants.gpr
    • /usr/share/ghemical/3.0.0/examples/transition_state_search/carbocation_rearrangement_methide_shift/ts.gpr
    • /usr/share/ghemical/3.0.0/examples/transition_state_search/cycloaddition_Diels-Alder/products.gpr
    • /usr/share/ghemical/3.0.0/examples/transition_state_search/cycloaddition_Diels-Alder/reactants.gpr
    • /usr/share/ghemical/3.0.0/examples/transition_state_search/cycloaddition_Diels-Alder/ts.gpr
    • /usr/share/ghemical/3.0.0/examples/transition_state_search/sigmatropic_rearrangement_Cope/products.gpr
    • /usr/share/ghemical/3.0.0/examples/transition_state_search/sigmatropic_rearrangement_Cope/reactants.gpr
    • /usr/share/ghemical/3.0.0/examples/transition_state_search/sigmatropic_rearrangement_Cope/ts.gpr
    • /usr/share/ghemical/3.0.0/examples/transition_state_search/tautomeric_shift_keto_enol/products.gpr
    • /usr/share/ghemical/3.0.0/examples/transition_state_search/tautomeric_shift_keto_enol/reactants.gpr
    • /usr/share/ghemical/3.0.0/examples/transition_state_search/tautomeric_shift_keto_enol/ts.gpr
    • /usr/share/ghemical/3.0.0/glade/gtk_file_export_dialog.glade
    • /usr/share/ghemical/3.0.0/glade/gtk_file_import_dialog.glade
    • /usr/share/ghemical/3.0.0/glade/gtk_geomopt_dialog.glade
    • /usr/share/ghemical/3.0.0/glade/gtk_moldyn_dialog.glade
    • /usr/share/ghemical/3.0.0/glade/gtk_progress_dialog.glade
    • /usr/share/ghemical/3.0.0/glade/gtk_setup_dialog.glade
    • /usr/share/ghemical/3.0.0/glade/gtk_stereo_dialog.glade
    • /usr/share/ghemical/3.0.0/glade/gtk_trajview_dialog.glade
    • /usr/share/ghemical/3.0.0/pixmaps/angle.xpm
    • /usr/share/ghemical/3.0.0/pixmaps/bond.xpm
    • /usr/share/ghemical/3.0.0/pixmaps/bondtype.xpm
    • /usr/share/ghemical/3.0.0/pixmaps/chain.xpm
    • /usr/share/ghemical/3.0.0/pixmaps/clipping.xpm
    • /usr/share/ghemical/3.0.0/pixmaps/dihedral.xpm
    • /usr/share/ghemical/3.0.0/pixmaps/distance.xpm
    • /usr/share/ghemical/3.0.0/pixmaps/draw.xpm
    • /usr/share/ghemical/3.0.0/pixmaps/element.xpm
    • /usr/share/ghemical/3.0.0/pixmaps/erase.xpm
    • /usr/share/ghemical/3.0.0/pixmaps/ghemical.png
    • /usr/share/ghemical/3.0.0/pixmaps/invert.xpm
    • /usr/share/ghemical/3.0.0/pixmaps/measure.xpm
    • /usr/share/ghemical/3.0.0/pixmaps/molecule.xpm
    • /usr/share/ghemical/3.0.0/pixmaps/orbit_xy.xpm
    • /usr/share/ghemical/3.0.0/pixmaps/orbit_z.xpm
    • /usr/share/ghemical/3.0.0/pixmaps/residue.xpm
    • /usr/share/ghemical/3.0.0/pixmaps/rotate_xy.xpm
    • /usr/share/ghemical/3.0.0/pixmaps/rotate_z.xpm
    • /usr/share/ghemical/3.0.0/pixmaps/select.xpm
    • /usr/share/ghemical/3.0.0/pixmaps/setup.xpm
    • /usr/share/ghemical/3.0.0/pixmaps/transl_xy.xpm
    • /usr/share/ghemical/3.0.0/pixmaps/transl_z.xpm
    • /usr/share/ghemical/3.0.0/pixmaps/zoom.xpm
    • /usr/share/ghemical/3.0.0/user-docs/MD.html
    • /usr/share/ghemical/3.0.0/user-docs/MD_viewer.html
    • /usr/share/ghemical/3.0.0/user-docs/aa_table.html
    • /usr/share/ghemical/3.0.0/user-docs/add_hydrogens.html
    • /usr/share/ghemical/3.0.0/user-docs/conf_search_tools.html
    • /usr/share/ghemical/3.0.0/user-docs/documentation.css
    • /usr/share/ghemical/3.0.0/user-docs/energy_vs_torsion.html
    • /usr/share/ghemical/3.0.0/user-docs/filetypes.html
    • /usr/share/ghemical/3.0.0/user-docs/formula.html
    • /usr/share/ghemical/3.0.0/user-docs/geometry_optimization.html
    • /usr/share/ghemical/3.0.0/user-docs/import_types.html
    • /usr/share/ghemical/3.0.0/user-docs/index.html
    • /usr/share/ghemical/3.0.0/user-docs/introduction.html
    • /usr/share/ghemical/3.0.0/user-docs/labels.html
    • /usr/share/ghemical/3.0.0/user-docs/measure.html
    • /usr/share/ghemical/3.0.0/user-docs/perspective.html
    • /usr/share/ghemical/3.0.0/user-docs/references.html
    • /usr/share/ghemical/3.0.0/user-docs/ribbon.html
    • /usr/share/ghemical/3.0.0/user-docs/sequence_builder.html
    • /usr/share/ghemical/3.0.0/user-docs/setup_dialog.html
    • /usr/share/ghemical/3.0.0/user-docs/using_mm.html
    • /usr/share/ghemical/3.0.0/user-docs/using_qm.html
    • /usr/share/ghemical/3.0.0/user-docs/using_sf.html
    • /usr/share/ghemical/3.0.0/user-docs/visualization.html
    • /usr/share/ghemical/3.0.0/user-docs/images/2atoms_unbonded.png
    • /usr/share/ghemical/3.0.0/user-docs/images/aa_builder_ci.png
    • /usr/share/ghemical/3.0.0/user-docs/images/aa_builder_menu.png
    • /usr/share/ghemical/3.0.0/user-docs/images/aa_builder_note.png
    • /usr/share/ghemical/3.0.0/user-docs/images/aa_builder_w_h.png
    • /usr/share/ghemical/3.0.0/user-docs/images/aa_builder_wo_h.png
    • /usr/share/ghemical/3.0.0/user-docs/images/add_hydrogens.png
    • /usr/share/ghemical/3.0.0/user-docs/images/add_hydrogens_select.png
    • /usr/share/ghemical/3.0.0/user-docs/images/change_bond_dialog.png
    • /usr/share/ghemical/3.0.0/user-docs/images/ci_plane.png
    • /usr/share/ghemical/3.0.0/user-docs/images/clipping1.png
    • /usr/share/ghemical/3.0.0/user-docs/images/clipping2.png
    • /usr/share/ghemical/3.0.0/user-docs/images/cyclohexane1.png
    • /usr/share/ghemical/3.0.0/user-docs/images/cyclohexane2.png
    • /usr/share/ghemical/3.0.0/user-docs/images/cyclohexane_optimized.png
    • /usr/share/ghemical/3.0.0/user-docs/images/cyclohexane_unoptimized.png
    • /usr/share/ghemical/3.0.0/user-docs/images/energy_vs_torsion1.png
    • /usr/share/ghemical/3.0.0/user-docs/images/energy_vs_torsion2.png
    • /usr/share/ghemical/3.0.0/user-docs/images/energy_vs_torsion3.png
    • /usr/share/ghemical/3.0.0/user-docs/images/energy_vs_torsion4.png
    • /usr/share/ghemical/3.0.0/user-docs/images/enlevdiag.png
    • /usr/share/ghemical/3.0.0/user-docs/images/esp-plane_mm.png
    • /usr/share/ghemical/3.0.0/user-docs/images/esp-plane_qm.png
    • /usr/share/ghemical/3.0.0/user-docs/images/esp-plane_select.png
    • /usr/share/ghemical/3.0.0/user-docs/images/esp-plane_select_obj.png
    • /usr/share/ghemical/3.0.0/user-docs/images/formula.png
    • /usr/share/ghemical/3.0.0/user-docs/images/formula_select.png
    • /usr/share/ghemical/3.0.0/user-docs/images/geometry_op_dialog.png
    • /usr/share/ghemical/3.0.0/user-docs/images/geometry_optimization_select.png
    • /usr/share/ghemical/3.0.0/user-docs/images/labels_menu.png
    • /usr/share/ghemical/3.0.0/user-docs/images/mainmenu.png
    • /usr/share/ghemical/3.0.0/user-docs/images/maintools.png
    • /usr/share/ghemical/3.0.0/user-docs/images/md_dialog.png
    • /usr/share/ghemical/3.0.0/user-docs/images/modal.png
    • /usr/share/ghemical/3.0.0/user-docs/images/notebook.png
    • /usr/share/ghemical/3.0.0/user-docs/images/optimized_ethane.png
    • /usr/share/ghemical/3.0.0/user-docs/images/remove_hydrogens.png
    • /usr/share/ghemical/3.0.0/user-docs/images/ribbon.png
    • /usr/share/ghemical/3.0.0/user-docs/images/sequence_builder.png
    • /usr/share/ghemical/3.0.0/user-docs/images/setup1.png
    • /usr/share/ghemical/3.0.0/user-docs/images/setup2.png
    • /usr/share/ghemical/3.0.0/user-docs/images/setup_select.png
    • /usr/share/ghemical/3.0.0/user-docs/images/toplevel.png
    • /usr/share/ghemical/3.0.0/user-docs/images/traj_dialog.png
    • /usr/share/ghemical/3.0.0/user-docs/images/using_mm_01.png
    • /usr/share/ghemical/3.0.0/user-docs/images/using_mm_02.png
    • /usr/share/ghemical/3.0.0/user-docs/images/using_mm_03.png
    • /usr/share/ghemical/3.0.0/user-docs/images/using_mm_04.png
    • /usr/share/ghemical/3.0.0/user-docs/images/using_mm_05.png
    • /usr/share/ghemical/3.0.0/user-docs/images/using_mm_06.png
    • /usr/share/ghemical/3.0.0/user-docs/images/using_mm_07.png
    • /usr/share/ghemical/3.0.0/user-docs/images/using_mm_08.png
    • /usr/share/ghemical/3.0.0/user-docs/images/using_mm_09.png
    • /usr/share/ghemical/3.0.0/user-docs/images/using_mm_10.png
    • /usr/share/ghemical/3.0.0/user-docs/images/using_mm_11.png
    • /usr/share/ghemical/3.0.0/user-docs/images/window.png

    Changelog

    2012-10-09 - lars@linux-schulserver.de - update to 3.0.0 - split out ghemical-lang - specfile cleanup

    2009-03-15 - lars@linux-schulserver.de - update to 2.98

    2008-09-25 - lars@linux-schulserver.de - moved to Education base repository

    2008-05-19 - lars@linux-schulserver.de - initial version 2.95

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