Customizing the Rendering of NMR Models

The default rendering of NMR models shows proteins, DNA, and RNA as thin backbone traces colored by group (rainbow sequence with amino/5' terminus blue, carboxy/3' terminus red). Water and other hetero atoms are shown spacefilled in Corey-Pauling-Kulten colors. Any atoms which are not protein, DNA, RNA, nor designated hetero, are shown in ball and stick.

The best ways to change the color scheme are from Chime's Colors menu, or by issuing commands. Pressing the [Model] or [All] buttons does not change the color scheme, so whatever colors you apply will be preserved during these operations.

In order to customize the rendering produced by the [Model] or [All] buttons, modify the script in the box labeled NMR Model Script. In this script, the symbol @ will automatically be replaced with the current model number (or all). For example, if you enter "12" in the Model slot,
"select model=@" will be converted to
"select model=12" before it is sent to Chime.

For example, a script to render each model as a cartoon would be:

If, in addition to rendering protein as a cartoon, you wish to render hetero atoms in ball and stick, the script should be:

In the Protein Comparator, separate scripts can be specified for the top and bottom molecules. Whichever molecule is selected, the appropriate script will be displayed in the box, and applied.

Whenever an Always show model number has been entered, a custom script will be ignored by the [All] button (and in the initial view following entry of a model in the Always show slot, which uses the same [All] function). The custom script will, however, be employed by the [Model] and [Auto] functions.