+ // need these if we ever want to export Atom data
+ // public boolean tfacset=true,occset=true;
+ public boolean isSelected = false;
+
+ public Atom(String str)
+ {
+ atomIndex = Integer.parseInt(str.substring(6, 11).trim());
+
+ name = str.substring(12, 15).trim();
+
+ resName = str.substring(17, 20);
+
+ chain = str.substring(21, 22);
+
+ resNumber = Integer.parseInt(str.substring(22, 26).trim());
+ resNumIns = str.substring(22, 27);
+ insCode = str.substring(26, 27).charAt(0);
+ this.x = (float) (new Float(str.substring(30, 38).trim()).floatValue());
+ this.y = (float) (new Float(str.substring(38, 46).trim()).floatValue());
+ this.z = (float) (new Float(str.substring(47, 55).trim()).floatValue());
+ // optional entries - see JAL-730
+ String tm = str.substring(54, 60).trim();
+ if (tm.length() > 0)
+ {
+ occupancy = (float) (new Float(tm)).floatValue();