public static bool[][] GetInterChainContactBools(IStructure structure)
{
// Identify inter-chain contacts and then map all aas in the structure to true/false
Selection contactAas = Clash.GetContactSelection(structure.ToArray());
bool[][] contacts = structure.Select(chain => chain.Select(aa => contactAas.Aas.Contains(aa)).ToArray()).ToArray();
return(contacts);
}
public static Selection GetContacts(IStructure structure)
{
Selection selection = Clash.GetContactSelection(structure.ToArray());
return(selection);
}