vdwradii.dat

Contents

Information on the van der Waals' radii of different atom types. If not specified in this file, then editconf will use the default value of 0.12 nm.

; Very approximate VanderWaals radii
; only used for drawing atoms as balls or for calculating atomic overlap.
; longest matches are used
; '???' or '*' matches any residue name
; 'AAA' matches any protein residue name
???  C     0.15
???  F     0.12
???  H     0.04
???  N     0.110
???  O     0.105
???  S     0.16
GLY  MN1   0
GLY  MN2   0
ALA  MCB1  0
ALA  MCB2  0
.....