Van der Waals menu (SETVDW)

Introduction

WHAT IF uses a consistent set of Van der Waals radii. You can use this menu to change these radii if you want to alter the behaviour of accessibility calculations or graphical options like the Van der waals surface, or the RIBBONS radii.

Van der Waals radii (SETVDW)

The command SETVDW brings you in the Van der Waals menu manipulation menu. This menu allows you to change Van der Waals radii. This might be needed to check if other programs give the same results as WHAT IF, or to fudge the program. It might also help in enhancing the graphics quality of some options.

Default Van der Waals radii (VDWATT)

The command VDWATT will show you a small mini-menu. You can choose between S, which will show the present default radii; R, which will allow you to change these defaults; A, which applies the default radii to a range of residues etc. for which you will be prompted; and 0 (zero) which will leave this mini-menu.

Set Van der Waals radii for backbone (VDWBB)

The command VDWBB will cause WHAT IF to prompt you for a residue range and for a radius. All backbone atoms (N, C-alpha and C) within the given range will get the requested Van der Waals radius. The default radii will not be changed. See also VDWBBO.

Set Van der Waals radii for backbone (VDWBBO)

The command VDWBBO will cause WHAT IF to prompt you for a residue range and for a radius. All backbone oxygens within the given range will get the requested Van der Waals radius. The default radii will not be changed. See also VDWBB.

Set Van der Waals radii for side chains (VDWSS)

The command VDWSS will cause WHAT IF to prompt you for a residue range and for a radius. All side chain atoms within the given range will get the requested Van der Waals radius. The default radii will not be changed.

Set Van der Waals radii for alpha carbons (VDWCA)

The command VDWCA will cause WHAT IF to prompt you for a residue range and for a radius. All alpha carbons within the given range will get the requested Van der Waals radius. The default radii will not be changed.

Set Van der Waals radii for a range (VDWRNG)

The command VDWRNG will cause WHAT IF to prompt you for a residue range and for a radius. All atoms within the given range will get the requested Van der Waals radius. The default radii will not be changed.