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Increase precision of template operation

This commit is contained in:
Gustaf Ahdritz 2022-08-10 00:56:45 -04:00
parent fc7bb8a37a
commit 6e930a6ca4
1 changed files with 3 additions and 3 deletions
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6
openfold/utils/feats.py
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@ -128,9 +128,9 @@ def build_template_pair_feat(
n, ca, c = [rc.atom_order[a] for a in ["N", "CA", "C"]] n, ca, c = [rc.atom_order[a] for a in ["N", "CA", "C"]]
rigids = Rigid.make_transform_from_reference( rigids = Rigid.make_transform_from_reference(
n_xyz=batch["template_all_atom_positions"][..., n, :], n_xyz=batch["template_all_atom_positions"][..., n, :].float(),
ca_xyz=batch["template_all_atom_positions"][..., ca, :], ca_xyz=batch["template_all_atom_positions"][..., ca, :].float(),
c_xyz=batch["template_all_atom_positions"][..., c, :], c_xyz=batch["template_all_atom_positions"][..., c, :].float(),
eps=eps, eps=eps,
) )
points = rigids.get_trans()[..., None, :, :] points = rigids.get_trans()[..., None, :, :]