Residue interaction calculation Residue distance calculation Calculate contacts between residues, or between residues and other groups, in a protein structure, on the basis of distance calculations. WHATIF:HasMetalContacts WHATIF:HasMetalContactsPlus WHATIF:HasNegativeIonContacts WHATIF:SymmetryContact Residue contact calculation (residue-nucleic acid) This includes identifying HET groups, which usually correspond to ligands, lipids, but might also (not consistently) include groups that are attached to amino acids. Each HET group is supposed to have a unique three letter code and a unique name which might be given in the output. It can also include calculation of symmetry contacts, i.e. a contact between two atoms in different asymmetric unit. Residue contact calculation (residue-metal) WHATIF:ShowLigandContacts Residue contact calculation (residue-negative ion) HET group detection WHATIF: HETGroupNames WHATIF:ShowDrugContactsShort WHATIF:HasNucleicContacts WHATIF:ShowProteiNucleicContacts Residue contact calculation (residue-ligand) beta12orEarlier WHATIF:HasNegativeIonContactsPlus WHATIF:ShowDrugContacts