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Contour Mapping Widget
Leif Laaksonen CSC 1998
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This is the contour mapping widget. Through this widget you can control the mapping (colouring) of an isocontour surface according to the grid values of an other grid (*.plt) file. The colouring can be scaled according to any grid value range.

The steps to do:

  1. Read the atom coordinate information (through import coordinates) for your molecular system.
  2. Open the contour manager widget (if it is not open alredy).
  3. The contour data files are usually *.plt files (you can of course use your own file name extension). Click on the "Browse" button to open the file browser to see the *.plt files. Double click on the file (or a single click and then press the "Open" button) to select the file.
  4. Press the "Import file" button to read in the grid data to gOpenMol.
  5. Repeat the previous steps to read at least one more grid (*.plt) files.
  6. Click on the radio button for the file for which you want to generate the isocontour surface.
  7. Click on the "Mapping" button to open the "Mapping control widget". This you already did because you got this help text.
  8. Click on the option menu button to select the file from which the colouring (mapping) will be taken. Finish by pressing the "Accept" button.
  9. Write the isocontour value into the input field (starting upwards). If you want to apply an other colour range than the default fill in on the same line the min. and max. values for the range. The colouring will be from min (blue) to max (red). If the values are filled from max. to min. the colouring will be the opposite.
  10. Press the "Apply" button"!

Surface details:

Please observe that the two grid files have to have the same number of grid points in the x, y and z directions and the grid data has to be defined in the same x, y and z space for the both grid files.

If you don't know the grid space you can run the format to unformat *.plt file converter (pltfile) in the bin/ directory.

You can change either the isocontour value, colour, smoothing by pressing the "Details" button for the chosen isocontour value.

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LUL/1998
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