Contacts with symmetry related molecules in a crystal
Introduction
This server calculates contacts between pairs of atoms.
Pairs of atoms are analysed only if both atoms sit in
different asymmetric units. The contact cutoff is 0.5 Ångstrom.
Methods
A contact is defined as two atoms for which the distance between
the Van der Waals surfaces is less than 0.5 Ångstrom.
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.
