The `conversion` module¶

With the conversion module, you can convert your generated .pdb structures into a .xtc trajectory file.

This enables much easier storage and analysis of generated ensembles.

Convert a conformational ensemble to trajectory format¶

To convert your generated .pdb structures into a single .xtc trajectory file, provide Ensemblify with:

CLI Parameter	Description
Ensemble Directory (--ensembledir, -e)	Directory where the generated ensemble is stored.
Trajectory Directory (--trajectorydir, -t)	Directory where the trajectory file should be created.
Trajectory ID (--trajectoryid, -i)	Name for the trajectory file that will be created.

(ensemblify_env) $ ensemblify conversion \
    -e ensemble_dir \
    -t trajectory_dir \
    -i trajectory_name

from ensemblify.conversion import ensemble2traj

ensemble2traj(
    'ensemble_dir',
    'trajectory_dir',
    'trajectory_name'
)