ensemble¶
Generate an ensemble of conformations from a parameters file.
Functions¶
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Generate an ensemble of conformations given a parameters file. |
Module Contents¶
- ensemblify.generation.ensemble.generate_ensemble(parameters_path)¶
Generate an ensemble of conformations given a parameters file.
- Parameters:
parameters_path (
str) – Path to a .yaml parameters file (generated by .html form or manually setup by user).- Returns:
Path to directory where the generated .pdb files making up the ensemble are stored.
- Return type:
str