Analysis of Null Areas

Analysis of Null Areas

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Analysis of Null AreasVolume and flexibility calculation for protein cavities

Fast

Made for long molecular dynamics trajectories.

Maximum control

Define your cavity manually by listing the lining residues

Adaptive cavity definition

Follow cavity changes along large conformational changes

Cavity flexibility

Predict flexibility using a set of collective coordinates as Normal Modes or Principal Components

Static

Learn the basics ANA in ~5 minutes. From discovering new cavities, to defining your own cavity and tracking it along a Molecular Dynamics trajectory. Check the Docs section

Dynamics

Track a cavity along a full Molecular Dynamics trajectory, ANA is fast enough to do it. ANA supports the popular MD formats as Amber's NetCDF and GROMACS .trr, .trj and .gro. Check an example in the Docs section.

Flexibility

Calculate the flexibility of a protein cavity as seen on "Protein Fluctuations and Cavity Changes Relationship" by Barletta & Fernandez-Alberti. Check this example on the Docs section.

Analysis of Null Areas
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ANA is GPL licensed. Hacé lo q se te cante.