openfold.utils.feats

Functions

atom14_to_atom37(atom14, batch)
build_extra_msa_feat(batch)
build_template_angle_feat(template_feats)
build_template_pair_feat(batch, min_bin, ...)
dgram_from_positions(pos[, min_bin, ...])
frames_and_literature_positions_to_atom14_pos(r, ...)
pseudo_beta_fn(aatype, all_atom_positions, ...)
torsion_angles_to_frames(r, alpha, aatype, rrgdf)

atom14_to_atom37(atom14, batch)

build_extra_msa_feat(batch)

build_template_angle_feat(template_feats)

build_template_pair_feat(batch, min_bin, max_bin, no_bins, use_unit_vector=False, eps=1e-20, inf=100000000.0)

dgram_from_positions(pos, min_bin=3.25, max_bin=50.75, no_bins=39, inf=100000000.0)

Parameters:

• pos (Tensor)

• min_bin (float)

• max_bin (float)

• no_bins (float)

• inf (float)

frames_and_literature_positions_to_atom14_pos(r, aatype, default_frames, group_idx, atom_mask, lit_positions)

Parameters:

• r (Rigid | Rigid3Array)

• aatype (Tensor)

pseudo_beta_fn(aatype, all_atom_positions, all_atom_masks)

torsion_angles_to_frames(r, alpha, aatype, rrgdf)

Parameters:

• r (Rigid | Rigid3Array)

• alpha (Tensor)

• aatype (Tensor)

• rrgdf (Tensor)