@SuppressWarnings("unused")
private static void demoStructureIO() {
try {
Structure s1 = StructureIO.getStructure("4hhb");
Structure bioAssembly = StructureIO.getBiologicalAssembly("1stp", 1);
// do something with them...
} catch (Exception e) {
e.printStackTrace();
}
}
public void loadStructureIO() {
try {
Structure s1 = StructureIO.getStructure("1gav");
System.out.println(s1.getPDBCode() + " asym unit has nr atoms:");
System.out.println(StructureTools.getNrAtoms(s1));
Structure s2 = StructureIO.getBiologicalAssembly("1gav");
System.out.println(s2.getPDBCode() + " biological assembly has nr atoms:");
System.out.println(StructureTools.getNrAtoms(s2));
} catch (Exception e) {
e.printStackTrace();
}
}
public static void main(String[] args) {
try {
Structure struc = StructureIO.getStructure("1aoi");
StructureAlignmentJmol jmolPanel = new StructureAlignmentJmol();
jmolPanel.setStructure(struc);
// send some RASMOL style commands to Jmol
jmolPanel.evalString("select * ; color chain;");
jmolPanel.evalString("select nucleic; cartoon on;");
jmolPanel.evalString("select *; spacefill off; wireframe off; cartoon on; ");
} catch (Exception e) {
e.printStackTrace();
}
}