Van der Waals radii file template

The van der Waals radii file define the radius values for each atom by residue and when not defined, it uses a generic value based on the atom type. The package contains a built-in van der Waals radii file: vdw.dat. However, the user can define its own file with a mandatory format and pass it to pyKVFinder. The format is shown below:

>RES
C       1.66
CA      2.00
N       1.97
O       1.69
H       0.91

Warning

The residue name should be in the standard PDB format and each radius value is separated by two tab characters of the atom name.