steps towards 3D-scaffold replacements

Actelion · Sep 25, 2024 · d827607 · d827607
1 parent ba6e458
commit d827607
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/src/main/java/com/actelion/research/chem/shredder/FragmentGeometry3D.java b/src/main/java/com/actelion/research/chem/shredder/FragmentGeometry3D.java
@@ -61,7 +61,7 @@ private void initFragmentWithExitVectors() {
 		ArrayList<ExitVector> exitVectorList = new ArrayList<>();
 		for (int atom=0; atom<mMol.getAllAtoms(); atom++)
 			if ("*".equals(mMol.getAtomCustomLabel(atom)))
-				exitVectorList.add(new com.actelion.research.chem.sar.ExitVector(mMol.getConnAtom(atom, 0), atom, mMol.getAtomicNo(atom)));
+				exitVectorList.add(new ExitVector(mMol.getConnAtom(atom, 0), atom, mMol.getAtomicNo(atom)));
 
 		mExitVector = exitVectorList.toArray(new ExitVector[0]);
 	}