AddAtom

AddAtom - add new atom

AddAtom name name1 name2 name3 expr expr expr

Add an atom with the name given as first argument to all selected residues.

name1 is the name of the atom where the new atom is attached. name2 is the name of the atom that is used to define the axis of the dihedral angle together with the atom name1. name3 is the name of the atom relative to which the dihedral angle is given.

The first numeric argument gives the dihedral angle, the next one the angle between the axis of the dihedral angle and the bond between atom name1 and the new atom. The last argument gives the bond distance.

If name1, name2 and name3 do not exist in a selected residue, or if name already exists, then no new atom is added for this residue, without an error message.

A bond between the new atom and atom name1 is automatically added.

EXAMPLE

AddAtom "HB2" "CB" "CA" "HB1" 120 120 1.5

SelectRes, AddPseudo, RemoveAtom, WriteLib

DATE

961206