CALculating the Center Of
The center of mass (COM) of a protein was used for defining costraints useful to predict protein tertiary models,
to assess the global shape of proteins in protein-protein complexes and to measure their distance and
the opening of the dimer complexes.
Given a protein composed from atoms, the cartesian coordinates of its center of mass are calculated like
where ai is one of three cartesian coordinates (xi,
yi and zi) of the atom i and mi is its
CALCOM is a tool to calculate the
cartesian coordinates of the center
of mass of a single chain, as well as complexed
chains, to evaluate the distance between the proteins present in
dimers, and to measure the distance of some or all amino
acids to the center of mass in order to can assess
residues as interior or surface.
Examples of input formats are available here.
Click here to access the input form.
CALCOM is optimized for Internet Explorer.
For any questions or problems with other browsers contact
susan.costantini AT isa.cnr.it
or angelo.facchiano AT isa.cnr.it.