update mmcif 3o21 into test datafiles

jamesmkrieger · Oct 12, 2023 · 3dccd38 · 3dccd38
1 parent 5c664b3
commit 3dccd38
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Showing 2 changed files with 16,774 additions and 5 deletions.
diff --git a/prody/tests/datafiles/__init__.py b/prody/tests/datafiles/__init__.py
@@ -227,11 +227,11 @@
     'biomols_cif': {
         'pdb': '3o21',
         'file': 'mmcif_3o21.cif',
-        'atoms': 1460,
-        'chainA_atoms_united': 187,
-        'chainA_atoms_alone': 187,
-        'ca_atoms': 36,
-        'bb_atoms': 144,
+        'atoms': 12793,
+        'chainA_atoms_united': 3170,
+        'chainA_atoms_alone': 3025,
+        'ca_atoms': 1489,
+        'bb_atoms': 5956,
         'models': 1,
     },
     'long_chid_cif': {
@@ -252,6 +252,7 @@
         'pdb': '3o21',
         'file': 'pdb3o21.pdb',
         'atoms': 12793,
+        'chainA_atoms': 3170,
         'ca_atoms': 1489,
         'models': 1,
         'biomols': 2