fix: Update to new version of gemmi (#10)

* fix: Update to new version of gemmi * Update pyproject.toml --------- Co-authored-by: alisterburt <[email protected]>
teamtomo · Dec 12, 2024 · ef1dc34 · ef1dc34
1 parent c7eab5f
commit ef1dc34
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diff --git a/pyproject.toml b/pyproject.toml
@@ -36,7 +36,7 @@ classifiers = [
 ]
 # add your package dependencies here
 dependencies = [
-    "gemmi",
+    "gemmi>=0.7.0",
     "pandas",
 ]
 

diff --git a/src/mmdf/_gemmi_utils.py b/src/mmdf/_gemmi_utils.py
@@ -28,7 +28,7 @@ def structure_to_df(structure: gemmi.Structure) -> pd.DataFrame:
     for model in structure:
         data = [
             (
-                model.name,
+                model.num,
                 cra.chain.name,
                 cra.residue.name,
                 cra.residue.seqid.num,