The accessible molecular surface of one residue is calculated using the WHAT IF method as described in chapter 9 of the WHAT IF writeup.
Methods
The accessible molecular surface calculated by
WHAT IF comes within 5% of the well known Connolly
surface area; the difference being that WHAT IF
does not take the so-called reentrant surface into
account. The surface is reported in squared
Ångstroms. WHAT IF uses the following
Van der Waals radii: C:1.8 Ångstrom; O:1.4
Ångstrom; N:1.7 Ångstrom; S:2.0 Ångstrom.
If you have detected any error, or have any question or suggestion,
please send an Email to Gert Vriend.
Roland Krause, Maarten L Hekkelman, Jens E Nielsen,
Gert Vriend.
