scnc
/
openfold
mirror of https://github.com/aqlaboratory/openfold.git
2
0
Fork 0
Code Issues Projects Releases Wiki Activity

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
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

6
openfold/utils/feats.py
View File

@ -128,9 +128,9 @@ def build_template_pair_feat(
n, ca, c = [rc.atom_order[a] for a in ["N", "CA", "C"]]
rigids = Rigid.make_transform_from_reference(
n_xyz=batch["template_all_atom_positions"][..., n, :],
ca_xyz=batch["template_all_atom_positions"][..., ca, :],
c_xyz=batch["template_all_atom_positions"][..., c, :],
n_xyz=batch["template_all_atom_positions"][..., n, :].float(),
ca_xyz=batch["template_all_atom_positions"][..., ca, :].float(),
c_xyz=batch["template_all_atom_positions"][..., c, :].float(),
eps=eps,
)
points = rigids.get_trans()[..., None, :, :]