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biojava-structure-gui/src/main/java/demo
biojava-structure/src/main/java/demo Expand file tree Collapse file tree Original file line number Diff line number Diff line change @@ -54,7 +54,7 @@ public static void main(String[] args)
5454 */
5555
5656 //Set the name of the protein structure to analyze
57- String name = "1hiv.A " ;
57+ String name = "1u6d " ;
5858 List <Atom []> atoms = new ArrayList <Atom []>();
5959
6060 //Download the atoms
Original file line number Diff line number Diff line change 55import java .util .List ;
66
77import org .biojava .nbio .structure .Atom ;
8+ import org .biojava .nbio .structure .Structure ;
89import org .biojava .nbio .structure .StructureException ;
10+ import org .biojava .nbio .structure .StructureTools ;
911import org .biojava .nbio .structure .align .multiple .MultipleAlignment ;
1012import org .biojava .nbio .structure .align .multiple .util .MultipleAlignmentWriter ;
1113import org .biojava .nbio .structure .align .util .AtomCache ;
@@ -52,13 +54,14 @@ public static void main(String[] args)
5254 */
5355
5456 //Set the name of the protein structure to analyze
55- String name = "4F88 " ;
57+ String name = "1u6d " ;
5658 List <Atom []> atoms = new ArrayList <Atom []>();
5759
5860 //Download the atoms
5961 AtomCache cache = new AtomCache ();
60- Atom [] ca = cache .getAtoms (name );
61- atoms .add (ca );
62+ Structure s = cache .getStructure (name );
63+ Atom [] array = StructureTools .getRepresentativeAtomArray (s );
64+ atoms .add (array );
6265
6366 CeSymm ceSymm = new CeSymm ();
6467
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