2020 */
2121public class MismatchedBasePairParameters extends BasePairParameters {
2222
23- protected static final double MaxStagger = 2.0 , MaxShear = 5.0 , MaxStretch = 5.0 ,
23+ // These are the criteria used to select proper base pairs.
24+ protected static double MaxStagger = 2.0 , MaxShear = 5.0 , MaxStretch = 5.0 ,
2425 MaxPropeller = 60.0 ;
2526
2627 public MismatchedBasePairParameters (Structure structure , boolean RNA , boolean removeDups , boolean canonical ) {
@@ -32,7 +33,7 @@ public MismatchedBasePairParameters(Structure structure, boolean RNA, boolean re
3233 /**
3334 * This is an implementation for finding non-canonical base pairs when there may be missing or overhanging bases.
3435 * @param chains The list of chains already found to be nucleic acids
35- * @return The list of the atom groups (residues) that are pairs, a Group[2] array
36+ * @return The list of the atom groups (residues) that are pairs, as a Pair of nucleic acid Groups
3637 */
3738 @ Override
3839 public List <Pair <Group >> findPairs (List <Chain > chains ) {
@@ -59,7 +60,7 @@ public List<Pair<Group>> findPairs(List<Chain> chains) {
5960 Atom a2 = g2 .getAtom ("C1'" );
6061 if (a1 == null || a2 == null ) continue ;
6162 // C1'-C1' distance is one useful criteria
62- if (Math .abs (a1 .getCoordsAsPoint3d ().distance (a2 .getCoordsAsPoint3d ()) - 10.0 ) > 3 .0 ) continue ;
63+ if (Math .abs (a1 .getCoordsAsPoint3d ().distance (a2 .getCoordsAsPoint3d ()) - 10.0 ) > 4 .0 ) continue ;
6364 Pair <Group > ga = new Pair <>(g1 , g2 );
6465 Matrix4d data = basePairReferenceFrame (ga );
6566 // if the stagger is greater than 2 Å, it's not really paired.
0 commit comments