Revision: 18333
http://sourceforge.net/p/jmol/code/18333
Author: hansonr
Date: 2013-06-14 14:11:13 +0000 (Fri, 14 Jun 2013)
Log Message:
-----------
Modified Paths:
--------------
trunk/Jmol/src/org/jmol/script/ScriptEvaluator.java
Modified: trunk/Jmol/src/org/jmol/script/ScriptEvaluator.java
===================================================================
--- trunk/Jmol/src/org/jmol/script/ScriptEvaluator.java 2013-06-14 13:26:24 UTC
(rev 18332)
+++ trunk/Jmol/src/org/jmol/script/ScriptEvaluator.java 2013-06-14 14:11:13 UTC
(rev 18333)
@@ -7365,11 +7365,16 @@
null, m4, null, !isSmiles, false, null, center);
if (Float.isNaN(stddev))
error(ERROR_invalidArgument);
- translation = new V3();
- m4.get(translation);
- Matrix3f m3 = new Matrix3f();
- m4.getRotationScale(m3);
- q = Quaternion.newM(m3);
+ if (doTranslate) {
+ translation = new V3();
+ m4.get(translation);
+ }
+ if (doRotate) {
+ Matrix3f m3 = new Matrix3f();
+ m4.getRotationScale(m3);
+ q = Quaternion.newM(m3);
+ }
+ showString("RMSD = " + stddev + " Angstroms");
}
if (centerAndPoints != null)
center = centerAndPoints[0][0];
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