Merge pull request #2026 from n-yoshikawa/fix-obabel-fast

Update coordinates in the fast option of obabel
openbabel · Sep 3, 2019 · bc6e5a2 · bc6e5a2
2 parents 9c36d87 + ac9ccd3
commit bc6e5a2
Showing 1 changed file with 3 additions and 1 deletion.
diff --git a/src/ops/gen3d.cpp b/src/ops/gen3d.cpp
@@ -149,8 +149,10 @@ bool OpGen3D::Do(OBBase* pOb, const char* OptionText, OpMap* pOptions, OBConvers
   // Initial cleanup for every level
   pFF->ConjugateGradients(iterations, 1.0e-4);
 
-  if (speed == 4)
+  if (speed == 4) {
+    pFF->UpdateCoordinates(*pmol);
     return true; // no conformer searching
+  }
 
   switch(speed) {
   case 1: