qube
Molecular Graphics and Modelling System
Install
- All systems
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curl cmd.cat/qube.sh
- Debian
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apt-get install avogadro - Ubuntu
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apt-get install avogadro - Kali Linux
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apt-get install avogadro - Fedora
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dnf install avogadro - Windows (WSL2)
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sudo apt-get updatesudo apt-get install avogadro - Raspbian
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apt-get install avogadro - Dockerfile
- dockerfile.run/qube
avogadro
Molecular Graphics and Modelling System
Avogadro is a molecular graphics and modelling system targeted at molecules and biomolecules. It can visualize properties like molecular orbitals or electrostatic potentials and features an intuitive molecular builder. Features include: * Molecular modeller with automatic force-field based geometry optimization * Molecular Mechanics including constraints and conformer searches * Visualization of molecular orbitals and general isosurfaces * Visualization of vibrations and plotting of vibrational spectra * Support for crystallographic unit cells * Input generation for the Gaussian, GAMESS and MOLPRO quantum chemistry packages * Flexible plugin architecture and Python scripting File formats Avogadro can read include PDB, XYZ, CML, CIF, Molden, as well as Gaussian, GAMESS and MOLPRO output.