intermol.atom module

class intermol.atom.Atom(index, name=None, residue_index=-1, residue_name=None)[source]

Bases: object

atomic_number
atomtype[source]
bondingtype
cgnr
charge[source]
epsilon[source]
force[source]

Return the force on the atom

index
mass[source]
name
position[source]

Return the cartesian coordinates of the atom

ptype
residue_index
residue_name
sigma[source]
velocity[source]

Return the velocity of the atom