scripts.data.postprocessing.to_etab.get_idx_dict¶

scripts.data.postprocessing.to_etab.get_idx_dict(pdb, chain_filter=None)[source]¶

From a .red.pdb file, generate a dictionary mapping indices used within TERMinator to indices used by the .red.pdb file.

Parameters:

pdb (str) – path to .red.pdb file
chain_filter (list of str or None) – only parse chains from chain_filter. If None, parse all chains

Returns:

idx_dict – Dictionary mapping indices used within TERMinator to indices used by the .red.pdb file.

Return type:

dict