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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.
Package | Summary | Distribution | Download |
ghemical-3.0.0-26.fc41.aarch64.html | Molecular mechanics and quantum mechanics front end for GNOME | Fedora Rawhide for aarch64 | ghemical-3.0.0-26.fc41.aarch64.rpm |
ghemical-3.0.0-26.fc41.ppc64le.html | Molecular mechanics and quantum mechanics front end for GNOME | Fedora Rawhide for ppc64le | ghemical-3.0.0-26.fc41.ppc64le.rpm |
ghemical-3.0.0-26.fc41.s390x.html | Molecular mechanics and quantum mechanics front end for GNOME | Fedora Rawhide for s390x | ghemical-3.0.0-26.fc41.s390x.rpm |
ghemical-3.0.0-26.fc41.x86_64.html | Molecular mechanics and quantum mechanics front end for GNOME | Fedora Rawhide for x86_64 | ghemical-3.0.0-26.fc41.x86_64.rpm |
ghemical-3.0.0-25.fc40.aarch64.html | Molecular mechanics and quantum mechanics front end for GNOME | Fedora 40 for aarch64 | ghemical-3.0.0-25.fc40.aarch64.rpm |
ghemical-3.0.0-25.fc40.ppc64le.html | Molecular mechanics and quantum mechanics front end for GNOME | Fedora 40 for ppc64le | ghemical-3.0.0-25.fc40.ppc64le.rpm |
ghemical-3.0.0-25.fc40.s390x.html | Molecular mechanics and quantum mechanics front end for GNOME | Fedora 40 for s390x | ghemical-3.0.0-25.fc40.s390x.rpm |
ghemical-3.0.0-25.fc40.x86_64.html | Molecular mechanics and quantum mechanics front end for GNOME | Fedora 40 for x86_64 | ghemical-3.0.0-25.fc40.x86_64.rpm |
ghemical-3.0.0-22.fc39.aarch64.html | Molecular mechanics and quantum mechanics front end for GNOME | Fedora 39 for aarch64 | ghemical-3.0.0-22.fc39.aarch64.rpm |
ghemical-3.0.0-22.fc39.ppc64le.html | Molecular mechanics and quantum mechanics front end for GNOME | Fedora 39 for ppc64le | ghemical-3.0.0-22.fc39.ppc64le.rpm |
ghemical-3.0.0-22.fc39.s390x.html | Molecular mechanics and quantum mechanics front end for GNOME | Fedora 39 for s390x | ghemical-3.0.0-22.fc39.s390x.rpm |
ghemical-3.0.0-22.fc39.x86_64.html | Molecular mechanics and quantum mechanics front end for GNOME | Fedora 39 for x86_64 | ghemical-3.0.0-22.fc39.x86_64.rpm |
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