From d02643a0fee8c0ee164cc211291de7de556521a8 Mon Sep 17 00:00:00 2001
From: Ernest Glukhov <39369110+glukhove@users.noreply.github.com>
Date: Wed, 19 Feb 2025 12:05:51 -0500
Subject: [PATCH] fixing sample name in schema

Related to this change: https://github.com/jwohlwend/boltz/commit/95dacb6ab0d467a6b9eae32b148529a4ff393d42

Issue: https://github.com/jwohlwend/boltz/issues/185
---
 src/boltz/data/parse/schema.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/src/boltz/data/parse/schema.py b/src/boltz/data/parse/schema.py
index 79f9c08..1b8545e 100644
--- a/src/boltz/data/parse/schema.py
+++ b/src/boltz/data/parse/schema.py
@@ -651,10 +651,10 @@ def parse_boltz_schema(  # noqa: C901, PLR0915, PLR0912
             # Set atom names
             canonical_order = AllChem.CanonicalRankAtoms(mol)
             for atom, can_idx in zip(mol.GetAtoms(), canonical_order):
-                name = atom.GetSymbol().upper() + str(can_idx + 1)
-                if len(name) > 4:
+                atom_name = atom.GetSymbol().upper() + str(can_idx + 1)
+                if len(atom_name) > 4:
                     raise ValueError(f"{seq} has an atom with a name longer than 4 characters.")
-                atom.SetProp("name", name)
+                atom.SetProp("name", atom_name)
 
             success = compute_3d_conformer(mol)
             if not success: