MGLTools

MGLTools 1.5

Free
View and analyze structural molecular data
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Analyze drugs, reactions, and molecules of various substances. Identify and view structures connected by specific similarities, separate them from the rest of the environment and run inspection scenarios. Apply different vision filters, control auto-docking of the simulated structures.

MGLTools is a software developed at the Molecular Graphics Laboratory (MGL) of The Scripps Research Institute for visualization and analysis of molecular structures.
Its three main applications are:
- AutoDockTools is graphical front-end for setting up and running AutoDock - an automated docking software designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.
- Python Molecular Viewer - PMV is a powerful molecular viewer that has a number of customizable features and comes with many pluggable commands ranging from displaying molecular surfaces to advanced volume rendering.
- Vision is a visual-programming environment in which a user can interactively build networks describing novel combinations of computational methods, and yielding new visualizations of their data without actually writing code.

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