Add shell of symmetry related residues


This server will add a 5.0 Ångstrom shell of symmetry related residues around the molecule read from the PDB file.


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.
Either Choose a pdb-file,
Or Choose your own file

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