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Contour Manager Widget
Leif Laaksonen CSC 1996
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This is the main contour display widget. Through this widget you can control the contour files, isosurface values, colours, surface smoothing and many more things. The data is defined as scalar values in a grid box. Before you can display any isosurface contour you have to read in the molecular system for which the grid data has been generated (this is usually a coordinate data file).

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.

File browser widget used to select a plot (*.plt) file:

After importing the plot file:

  1. Write the isocontour value into the input field (starting upwards).
  2. Click on the "Colour(number)" button to choose a colour for the surface
  3. If you want to map (colour) the surface according to the grid values of an other grid (*.plt) file press the "Mapping" button.
  4. The contour surface renderer can be used in three different modes:
  5. Press the "Apply" button"!

After defining the individual contour calues it is possible to change the surface details:

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

You can also manipulate your mesh data files with the "contman" program. With the "contman" program you can add or sustract two contour files (A = B + C) or you can make a smooth transition from one contour file to an other using A = w * B + (1 - w) C, where w is a mixing constant ( 0.0 ... 1.0). To have a look at the input to the "contman" program write "contman -h".

Widget to select the colour for a surface:

Widget to change detailed contour parameters:

Line command: see contour command

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LUL/1996
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