Calculate the accessible molecular surface. Output per atom.


The accessible molecular surface is determined for a probe with a radius of 1.4 Ångstrom.
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Or Choose your own file

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.

The accessible molecular surface is calculated using the WHAT IF method as described in chapter 9 of the WHAT IF writeup. 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.

Last modified Mon Jan 29 12:33:00 2018