The Shape Parameters dialog is presented to the User when importing series, or defining probes.
In this dialog, the User can change the different parameters that control the shape field generation.
Scale
The scale value define the maximum distance (in Angstrom) taken into account to compute the curvature. At low scale values, very small changes of surface shape are detected (e.g. changes due to hydrogen atoms). When the scale value is increased, only global changes are identified but the computational time increases dramatically. Default value (6 Angstrom).
GRID field
This chooser defines which of the GRID field is used to compute the curvature. Any of the standard GRID probes that have been selected can be used apart from the DRY probe since there is only favourable interaction in the DRY field.
Exclude cut-off
The Exclude cut-off controls the filtering of some grid nodes of the shape field if they are too close to the filtered nodes of other fields. For example, if the probes OH2 and TIP are selected for the computation and the Exclude cut-off is set to 2.0 Angstrom, convex nodes situated less than 2.0 Angstrom from the hydrophylic regions are eliminated.