Fixed molprobity memory issue

salilab · Dec 22, 2023 · 24bc1bf · 24bc1bf
1 parent c608e00
commit 24bc1bf
Showing 1 changed file with 4 additions and 1 deletion.
diff --git a/ihm_validation/molprobity.py b/ihm_validation/molprobity.py
@@ -201,7 +201,10 @@ def run_molprobity(self, d: dict):
 
         with open(f_name, 'w+') as f:
             run(['molprobity.molprobity', self._tempcif,
-                 "disable_uc_volume_vs_n_atoms_check=True",
+                 # "disable_uc_volume_vs_n_atoms_check=True",
+                 # This is a legacy option and causes extremely
+                 # large memory consumption with recent
+                 # molprobity versions on PDB-Dev entries
                  "coot=False"],
                 stdout=f,
                 cwd=self.cache)