Software Basics

This is a primer on the basic softwares used in the lab.

Visualisation

Pymol

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VMD

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Molecular Dynamics Engines

Gromacs

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NAMD

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OpenMM

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AMBER

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Small Molecule and Protein Preparation Tools

Charmm-GUI

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AmberTools

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Quantum Mechanics / DFT

Gaussian

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Q-Chem

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