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Commit a317ad27 authored by Jennifer's avatar Jennifer
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superimposition fix from Aymen

parent 36cd9eb0
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openfold/utils/superimposition.py
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...@@ -35,10 +35,10 @@ def _superimpose_np(reference, coords): ...@@ -35,10 +35,10 @@ def _superimpose_np(reference, coords):
def _superimpose_single(reference, coords): def _superimpose_single(reference, coords):
reference_np = reference.detach().cpu().numpy() reference_np = reference.detach().to(torch.float).cpu().numpy()
coords_np = coords.detach().cpu().numpy() coords_np = coords.detach().to(torch.float).cpu().numpy()
superimposed, rmsd = _superimpose_np(reference_np, coords_np) superimposed, rmsd = _superimpose_np(reference_np, coords_np)
return coords.new_tensor(superimposed), coords.new_tensor(rmsd) return coords.new_tensor(superimposed), coords.new_tensor(rmsd)
def superimpose(reference, coords, mask): def superimpose(reference, coords, mask):
......
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