miniworld.utils.ProteinClass.ProteinStructure

class miniworld.utils.ProteinClass.ProteinStructure(xyz, chain_break, atom_mask, position_mask=None, has_multiple_chains=False, has_multiple_models=False)

This class is used to store the protein structure information:

M : Number of model N : Number of residue xyz : (M, L, 14, 3) np.array or list or tensor. 14 is the number of heavy atom and # … (중략) … position_mask : (M, L) np.array or list or tensor, 1 for confident position and 0 for missing position.

__init__(xyz, chain_break, atom_mask, position_mask=None, has_multiple_chains=False, has_multiple_models=False)

Methods

__init__(xyz, chain_break, atom_mask[, ...])
get_chain_length_by_ID(chain_id)
get_chain_structure_by_ID(chain_id)
get_structure_by_model(model_id)