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--- tutorial_energy_landscape [2017/06/23 10:14]
dhaselb
+++ tutorial_energy_landscape [2017/06/23 10:28]
dhaselb
@@ Line 36: / Line 36: @@
 First we need too initialize two variables linearFactor and stepsize.
+We will initialize the linearFactor as the minimal Value using a script
+  cow.linearFactor = cow.io[0]["linearFactorForEigenimage0"]
 To visualize 10 intermediate structures we calculate the stepsize with a Calculate tool with
-     cow.stepsize=(cow.io[1]["linearFactorForEigenimage0"]-cow.io[0]["linearFactorForEigenimage0"])/10
+  cow.stepsize=(cow.io[1]["linearFactorForEigenimage0"]-cow.io[0]["linearFactorForEigenimage0"])/10
-We will initialize the linearFactor as the minimal Value using a script
+We will use this calculation to trigger our first loop that should run for 10 iterations. The loop itself should trigger the reading of the two inputs: the total average and the eigenvolume of choice using two bypass elements. The eigenvolume is modified by multiplication with the current linearfactor and than added to the average image. After successful calculation the linearfactor is modified with a calculate element.
+  cow.linearFactor=cow.linearFactor+cow.stepsize
+In the second loop we calculate append all intermediates on the average structure to convieniently visualize the movement in the 3D viewer. Using a script we add the current linear Factor in the header of the calculated linear combination
+  temp = cow.io[0]
+  temp["linearFactor"] = cow.linearFactor
+  cow.io[0] = temp
+and than simply loop over the append logic.
+The resulting trajectory can be visualized in the 3D viewer.