-public class Atom {
- public float x;
- public float y;
- public float z;
- public int number;
- public String name;
- public String resName;
- public int resNumber;
- public int type;
- Color color = Color.lightGray;
- public String chain;
- int alignmentMapping=-1;
-
- public boolean isSelected = false;
-
- public Atom(String str)
- {
- name = str.substring(12,15).trim();
-
- resName = str.substring(17,20);
-
- chain = str.substring(21,22);
-
- resNumber = Integer.parseInt(str.substring(22,26).trim());
-
- 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());
-
- }
- public Atom(float x,float y, float z) {
- this.x = x;
- this.y = y;
- this.z = z;
- }
- // public void setColor(Color col) {
- // this.color = col;
- // }
+ public float y;
+
+ public float z;
+
+ public int number;
+
+ public String name;
+
+ public String resName;
+
+ public int resNumber;
+
+ public char insCode = ' ';
+
+ public String resNumIns = null;
+
+ public int type;
+
+ Color color = Color.lightGray;
+
+ public String chain;
+
+ public int alignmentMapping = -1;
+
+ public int atomIndex;
+
+ public float occupancy = 0;
+
+ public float tfactor = 0;
+
+ 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());
+ occupancy = (float) (new Float(str.substring(54, 60).trim())
+ .floatValue());
+ tfactor = (float) (new Float(str.substring(60, 66).trim()).floatValue());
+ }
+
+ public Atom(float x, float y, float z)
+ {
+ this.x = x;
+ this.y = y;
+ this.z = z;
+ }
+ // public void setColor(Color col) {
+ // this.color = col;
+ // }