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im = ignore_missing[n] if isinstance(ignore_missing,list) else ignore_missing
if im:
r = batch["all_atom_mask"][:,0] == 1 #<===== THIS LINE
batch = jax.tree_map(lambda x:x[r], batch)
residue_index = batch["residue_index"] + last
Should not one use batch["all_atom_mask"][1], if we want to check if Ca is present? The 0th atom is for N according to residue_constants.atom_types.
Thanks!
The text was updated successfully, but these errors were encountered:
On Wed, May 10, 2023, 3:37 PM Yingyao Zhou ***@***.***> wrote:
In the prep_pdb.py file, line 434
im = ignore_missing[n] if isinstance(ignore_missing,list) else ignore_missing
if im:
r = batch["all_atom_mask"][:,0] == 1 #<===== THIS LINE
batch = jax.tree_map(lambda x:x[r], batch)
residue_index = batch["residue_index"] + last
Should not one use batch["all_atom_mask"][1], if we want to check if Ca is
present? The 0th atom is for N according to residue_constants.atom_types.
Thanks!
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In the prep_pdb.py file, line 434
Should not one use batch["all_atom_mask"][1], if we want to check if Ca is present? The 0th atom is for N according to residue_constants.atom_types.
Thanks!
The text was updated successfully, but these errors were encountered: