The `analysis` module¶

With the analysis module, you can calculate structural properties averaged across your generated ensemble.

The resulting information is then presented in a user-friendly interactive graphical dashboard.

Analyze your ensemble with an interactive graphical dashboard¶

To create an interactive graphical dashboard with structural information calculated from your conformational ensemble, provide Ensemblify with:

CLI Parameter	Description
Trajectory (--trajectory, -trj)	Your generated ensemble in trajectory format.
Topology (--topology, -top)	Your trajectory's corresponding topology file.
Trajectory ID (--trajectoryid, -tid)	Name used to identify your protein in the created graphical dashboard.

(ensemblify_env) $ ensemblify analysis \
    -trj trajectory.xtc \
    -top topology.pdb \
    -tid protein_name

from ensemblify.analysis import analyze_trajectory

analyze_trajectory(
    'trajectory.xtc',
    'topology.pdb',
    'protein_name'
)