File tree Expand file tree Collapse file tree
biojava-integrationtest/src/test/java/org/biojava/nbio/structure/test/contact
biojava-structure/src/main/java/org/biojava/nbio/structure/contact Expand file tree Collapse file tree Original file line number Diff line number Diff line change 33import org .biojava .nbio .structure .Structure ;
44import org .biojava .nbio .structure .StructureException ;
55import org .biojava .nbio .structure .StructureIO ;
6- import org .biojava .nbio .structure .contact .AtomContact ;
76import org .biojava .nbio .structure .contact .AtomContactSet ;
87import org .biojava .nbio .structure .contact .InterfaceFinder ;
98import org .biojava .nbio .structure .contact .Pair ;
Original file line number Diff line number Diff line change 1111import javax .vecmath .Point3d ;
1212import java .util .List ;
1313
14+ /**
15+ * A class containing methods to find interfaces in a given structure.
16+ * @author Jose Duarte
17+ * @since 5.4.0
18+ */
1419public class InterfaceFinder {
1520
1621 public static final double DEFAULT_CONTACT_CUTOFF = 6 ;
@@ -28,10 +33,20 @@ public InterfaceFinder(Structure structure) {
2833 this .cutoff = DEFAULT_CONTACT_CUTOFF ;
2934 }
3035
36+ /**
37+ * Set the contact distance cutoff.
38+ * @param cutoff the distance value in Angstroms
39+ */
3140 public void setCutoff (double cutoff ) {
3241 this .cutoff = cutoff ;
3342 }
3443
44+ /**
45+ * Find all inter polymer-chain interfaces in the structure.
46+ * Two chains will be considered in contact if at least a pair of atoms from each is within the
47+ * contact cutoff.
48+ * @return the list of all interfaces
49+ */
3550 public StructureInterfaceList getAllInterfaces () {
3651 initBoundingBoxes ();
3752
You can’t perform that action at this time.
0 commit comments