Residue distance calculation

WHATIF:SymmetryContact

Residue contact calculation (residue-metal)

Residue contact calculation (residue-nucleic acid)

HET group detection

Residue contact calculation (residue-ligand)

Residue contact calculation (residue-negative ion)

Calculate contacts between residues, or between residues and other groups, in a protein structure, on the basis of distance calculations. 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.

http://edamontology.org/operation_2950

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.

beta12orEarlier

WHATIF:HasMetalContacts

WHATIF:HasNucleicContacts

WHATIF:ShowDrugContacts

WHATIF:HasMetalContactsPlus

WHATIF:HasNegativeIonContacts

WHATIF:ShowProteiNucleicContacts

WHATIF: HETGroupNames

WHATIF:HasNegativeIonContactsPlus

WHATIF:ShowDrugContactsShort

WHATIF:ShowLigandContacts

Calculate contacts between residues, or between residues and other groups, in a protein structure, on the basis of distance calculations.

WHATIF:SymmetryContact

Residue contact calculation (residue-metal)

Residue contact calculation (residue-nucleic acid)

HET group detection

Residue contact calculation (residue-ligand)

Residue contact calculation (residue-negative ion)

http://edamontology.org/bio

http://edamontology.org/operations

Residue distance calculation

operation_2950

Residue distance calculation

http://edamontology.org/operation_0248