From 65d7f4ed62f2a151d78ba138a6184f0c36921630 Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavier.robin@unibas.ch>
Date: Tue, 30 May 2023 09:11:02 +0200
Subject: [PATCH] fix: SCHWED-5540 Remove null character from insertion code
A null character is added by OST in case of empty insertion code. This is not part of the actual insertion code, and could make it harder for third party software to handle our output.
---
actions/ost-compare-ligand-structures | 7 ++++++-
1 file changed, 6 insertions(+), 1 deletion(-)
diff --git a/actions/ost-compare-ligand-structures b/actions/ost-compare-ligand-structures
index 37ce4c78e..bfa6b5913 100644
--- a/actions/ost-compare-ligand-structures
+++ b/actions/ost-compare-ligand-structures
@@ -311,7 +311,12 @@ def _Validate(structure, ligands, legend, fault_tolerant=False):
def _QualifiedResidueNotation(r):
"""Return a parsable string of the residue in the format:
ChainName.ResidueNumber.InsertionCode."""
- return f"{r.chain.name}.{r.number.num}.{r.number.ins_code}"
+ resnum = r.number
+ return "{cname}.{rnum}.{ins_code}".format(
+ cname=r.chain.name,
+ rnum=resnum.num,
+ ins_code=resnum.ins_code.strip("\u0000"),
+ )
def _Process(model, model_ligands, reference, reference_ligands, args):
--
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