mopacDRC



mopacDRC is a free structure-view software for WinMOPAC DRC output.
It iswritten in Flash ActionScript. The latest version is "mopacDRC-B10"
which is able to show the structure depending on the specified reaction
coordinate (calculation step) of the output.
Reaction coordinate specification is done by the manipulation of the step
line (yellow vertical line) and you can see the specified structure.
There are three dot-mapped graphs. You can overlap each other and guess
the relationship of dots between the graphs.

** Present version runs on the Windows OS only.


Added features of the latest release "mopacDRC-B10" are:
1) Calculated three values: POTENTIAL, KINETIC and ERROR are shown by
dot-mapped graphs.
2) You can see the molecular structure which depends on the calculation step
that is secified by the line parallel to the Y-axis.
3) Furthermore, you can see forward and reverse reaction process by the step
line manipulation.
4) View scale adjustment
5) Overlap of the dot-mapped graphs.
6) Precise position adjustment of the graphs and step line using keyboard.
7) Display of the standard deviations of above three values.

Caution
Some actions of this software cost your PC resources a great deal. So when
you run this software, it would be better to quit other software.

System requirements (test condition):
[CPU] Pentium4/2.53GHz , [Mem] 1GB , [OS] WindowsXP-Pro
[Display] LCD / 1,024*768 / Color:32bit
... or more.


Download:

Zip file -- containing Exe file, instruction and one sample DRC output
for the test run. (6.5MB)



Pictures:

mopacDRC-B10: start

mopacDRC-B10: atoms

mopacDRC-B10: specified structure by the step line

mopacDRC-B10: jumped to far away reaction coordinate

mopacDRC-B10: reverse direction by step line manipulation

mopacDRC-B10: overlap of the graphs -- 1

mopacDRC-B10: overlap of the graphs -- 2

mopacDRC-B10: standard deviations of three values