Fast
Fast
Made for long molecular dynamics trajectories.
Maximum control
Maximum control
Define your cavity manually by listing the lining residues
Adaptive cavity definition
Adaptive cavity definition
Follow cavity changes along large conformational changes
Cavity flexibility
Cavity flexibility
Predict flexibility using a set of collective coordinates as Normal Modes or Principal Components
Static
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
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
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.
