ghemical-3.0.0-2.73.i586.rpm


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Description

ghemical - The MM and QM calculations frontend

Property Value
Distribution openSUSE Tumbleweed
Repository Education all
Package filename ghemical-3.0.0-2.73.i586.rpm
Package name ghemical
Package version 3.0.0
Package release 2.73
Package architecture i586
Package type rpm
Category Productivity/Scientific/Chemistry
Homepage http://www.bioinformatics.org/ghemical/ghemical/index.html
License GPL-3.0+
Maintainer -
Download size 1.67 MB
Installed size 2.30 MB
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

Package Version Architecture Repository
ghemical-3.0.0-2.73.x86_64.rpm 3.0.0 x86_64 Education
ghemical - - -

Requires

Name Value
libGL.so.1 -
libGLU.so.1 -
libc.so.6(GLIBC_2.4) -
libgcc_s.so.1 -
libgcc_s.so.1(GCC_3.0) -
libgdk-x11-2.0.so.0 -
libgdk_pixbuf-2.0.so.0 -
libgdkglext-x11-1.0.so.0 -
libghemical.so.5 -
libglade-2.0.so.0 -
libglib-2.0.so.0 -
libgobject-2.0.so.0 -
libgtk-x11-2.0.so.0 -
libgtkglext-x11-1.0.so.0 -
libm.so.6 -
libm.so.6(GLIBC_2.0) -
libm.so.6(GLIBC_2.1) -
liboglappth.so.2 -
libopenbabel.so.5 -
libpango-1.0.so.0 -
libstdc++.so.6 -
libstdc++.so.6(CXXABI_1.3) -
libstdc++.so.6(CXXABI_1.3.8) -
libstdc++.so.6(CXXABI_1.3.9) -
libstdc++.so.6(GLIBCXX_3.4) -
libstdc++.so.6(GLIBCXX_3.4.11) -
libstdc++.so.6(GLIBCXX_3.4.15) -
libstdc++.so.6(GLIBCXX_3.4.21) -
libstdc++.so.6(GLIBCXX_3.4.9) -

Provides

Name Value
ghemical = 3.0.0-2.73
ghemical(x86-32) = 3.0.0-2.73

Download

Type URL
Mirror widehat.opensuse.org
Binary Package ghemical-3.0.0-2.73.i586.rpm
Source Package ghemical-3.0.0-2.73.src.rpm

Install Howto

  1. Add the Education repository:
    # zypper addrepo http://widehat.opensuse.org/opensuse/repositories/Education/openSUSE_Tumbleweed/ education
  2. Install ghemical rpm package:
    # zypper install ghemical

Files

Path
/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

See Also

Package Description
ghemical-lang-3.0.0-2.73.noarch.rpm Translations for package ghemical
ghmessen-0.22.0.master.git-1.39.noarch.rpm Program to collect data from computer measuring interfaces like CASSY
giws-1.1.1-1.27.i586.rpm Generate C++ class wrappers to call Java methods/objects
giws-1.1.1-1.27.x86_64.rpm Generate C++ class wrappers to call Java methods/objects
gjiten-2.6-7.5.i586.rpm Japanese Dictionary Browser for GNOME/GTK+
gjiten-2.6-7.5.x86_64.rpm Japanese Dictionary Browser for GNOME/GTK+
gmult-8.0-1.71.i586.rpm Math game to solve multiplication problem
gmult-8.0-1.71.x86_64.rpm Math game to solve multiplication problem
gnome-quod-0.2.3-5.22.i586.rpm Board game to make a square from pieces
gnome-quod-0.2.3-5.22.x86_64.rpm Board game to make a square from pieces
gnome-quod-lang-0.2.3-5.22.noarch.rpm Translations for package gnome-quod
gns3-gui-2.1.16-101.1.noarch.rpm GNS3 graphical interface for the GNS3 server
gns3-net-converter-1.3.0-3.21.noarch.rpm Convert old ini-style GNS3 topologies
gns3-server-2.1.16-44.1.noarch.rpm A graphical network simulator
gnucap-0.35-33.49.i586.rpm Gnu Circuit Analysis Package
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