fix: save plddt to pdb (#14)

carolynkim · web-flow · commit e9f060214d19 · 2024-06-27T16:39:54.000-07:00
diff --git a/esm/sdk/api.py b/esm/sdk/api.py
@@ -101,6 +101,7 @@ def to_protein_chain(self) -> ProteinChain:
             entity_id=None,
             residue_index=None,
             insertion_code=None,
+            confidence=None if self.plddt is None else self.plddt.detach().cpu().numpy(),
         )
         return protein_chain
 

Original file line number	Diff line number	Diff line change
`@@ -101,6 +101,7 @@ def to_protein_chain(self) -> ProteinChain:`
`101`	`101`	`entity_id=None,`
`102`	`102`	`residue_index=None,`
`103`	`103`	`insertion_code=None,`
	`104`	`+ confidence=None if self.plddt is None else self.plddt.detach().cpu().numpy(),`
`104`	`105`	`)`
`105`	`106`	`return protein_chain`
`106`	`107`