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Name: ghemical | Distribution: Fedora Project |
Version: 3.0.0 | Vendor: Fedora Project |
Release: 22.fc39 | Build date: Thu Jul 20 01:00:12 2023 |
Group: Unspecified | Build host: buildvm-a64-19.iad2.fedoraproject.org |
Size: 2955147 | Source RPM: ghemical-3.0.0-22.fc39.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.
GPLv2+
* 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 * Thu Jan 20 2022 Fedora Release Engineering <releng@fedoraproject.org> - 3.0.0-19 - Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild * Sat Nov 06 2021 Antonio Trande <sagitter@fedoraproject.org> - 3.0.0-18 - Porting to openbabel3 * Thu Jul 22 2021 Fedora Release Engineering <releng@fedoraproject.org> - 3.0.0-17 - Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild
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Fabrice Bellet, Tue Jul 9 22:15:25 2024