scripts.data.preprocessing.packageTensors.dumpCoordsTensors¶

scripts.data.preprocessing.packageTensors.dumpCoordsTensors(in_path, out_path=None, save=True)[source]¶

Create a feature file based only on the coordinate information, placing dummy arrays for all TERM based items.

Parameters:

in_path (str) – Prefix to .red.pdb file
out_path (str or None) – Prefix to the output .features and .length. Can be None if save=False.
save (bool, default=True) – Whether or not to save the training tensors

Returns:

Dictionary of features for TERMinator

Return type:

dict