This server will add a 5.0 Ångstrom shell of symmetry related residues
around the molecule read from the PDB file.
Methods
All symmetry related residues are added that have at least
one atom that contacts at least one atom in the original PDB
file. Two atoms are called in contact when the distance between
their Van der Waals surfaces is less than 5.0 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.
At present only residues are put in the shell. I am still working
on adding ligands, waters and ions too.
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.
