Index | index by Group | index by Distribution | index by Vendor | index by creation date | index by Name | Mirrors | Help | Search |
Name: ghemical | Distribution: Fedora Project |
Version: 3.0.0 | Vendor: Fedora Project |
Release: 25.fc40 | Build date: Thu Feb 1 03:34:42 2024 |
Group: Unspecified | Build host: buildvm-x86-32.iad2.fedoraproject.org |
Size: 2948595 | Source RPM: ghemical-3.0.0-25.fc40.src.rpm |
Packager: Fedora Project | |
Url: http://www.bioinformatics.org/ghemical/ghemical/index.html | |
Summary: Molecular mechanics and quantum mechanics front end for GNOME |
Ghemical is a computational chemistry application. 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.
GPL-2.0-or-later
* Thu Feb 01 2024 Mamoru TASAKA <mtasaka@fedoraproject.org> - 3.0.0-25 - SPDX migration * Wed Jan 24 2024 Fedora Release Engineering <releng@fedoraproject.org> - 3.0.0-24 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Fri Jan 19 2024 Fedora Release Engineering <releng@fedoraproject.org> - 3.0.0-23 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Wed Jul 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 3.0.0-22 - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild * Thu Jan 19 2023 Fedora Release Engineering <releng@fedoraproject.org> - 3.0.0-21 - Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild * Thu Jul 21 2022 Fedora Release Engineering <releng@fedoraproject.org> - 3.0.0-20 - Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild
/usr/bin/ghemical /usr/lib/.build-id /usr/lib/.build-id/aa /usr/lib/.build-id/aa/ae11c3a94c8478d3a5ed9ff7650b61b61c8cf1 /usr/share/applications/ghemical.desktop /usr/share/doc/ghemical /usr/share/doc/ghemical/AUTHORS /usr/share/doc/ghemical/ChangeLog /usr/share/doc/ghemical/TODO /usr/share/ghemical /usr/share/ghemical/3.0.0 /usr/share/ghemical/3.0.0/examples /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 /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 /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 /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 /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 /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 /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 /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 /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 /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 /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/images /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 /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/icons/hicolor/128x128/apps/ghemical.png /usr/share/icons/hicolor/16x16/apps/ghemical.png /usr/share/icons/hicolor/32x32/apps/ghemical.png /usr/share/icons/hicolor/48x48/apps/ghemical.png /usr/share/licenses/ghemical /usr/share/licenses/ghemical/COPYING /usr/share/locale/de/LC_MESSAGES/ghemical.mo /usr/share/locale/fi/LC_MESSAGES/ghemical.mo /usr/share/locale/mk/LC_MESSAGES/ghemical.mo /usr/share/locale/pt_BR/LC_MESSAGES/ghemical.mo /usr/share/locale/ru/LC_MESSAGES/ghemical.mo /usr/share/locale/sq/LC_MESSAGES/ghemical.mo
Generated by rpm2html 1.8.1
Fabrice Bellet, Tue Jul 9 23:23:40 2024