Commit 632acfaf authored by Gustaf Ahdritz's avatar Gustaf Ahdritz
Browse files

Disable zero centering

parent 5aa21eae
...@@ -503,7 +503,7 @@ def _get_atom_positions( ...@@ -503,7 +503,7 @@ def _get_atom_positions(
mmcif_object: mmcif_parsing.MmcifObject, mmcif_object: mmcif_parsing.MmcifObject,
auth_chain_id: str, auth_chain_id: str,
max_ca_ca_distance: float, max_ca_ca_distance: float,
_zero_center_positions: bool = True, _zero_center_positions: bool = False,
) -> Tuple[np.ndarray, np.ndarray]: ) -> Tuple[np.ndarray, np.ndarray]:
"""Gets atom positions and mask from a list of Biopython Residues.""" """Gets atom positions and mask from a list of Biopython Residues."""
coords_with_mask = mmcif_parsing.get_atom_coords( coords_with_mask = mmcif_parsing.get_atom_coords(
...@@ -1045,6 +1045,7 @@ class TemplateHitFeaturizer: ...@@ -1045,6 +1045,7 @@ class TemplateHitFeaturizer:
filtered = list( filtered = list(
sorted(filtered, key=lambda x: x.sum_probs, reverse=True) sorted(filtered, key=lambda x: x.sum_probs, reverse=True)
) )
idx = list(range(len(filtered))) idx = list(range(len(filtered)))
if(self._shuffle_top_k_prefiltered): if(self._shuffle_top_k_prefiltered):
stk = self._shuffle_top_k_prefiltered stk = self._shuffle_top_k_prefiltered
......
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