nv_atom

Get or set data about individual atoms.

nv_atom num atomSpecifier

Returns the atom number of the specified atom. Atom specifiers are of the form residueNumber.atomName. For example 3.ca or 4.hn.

nv_atom elem elemName atomNum ? value ?

Returns the value of the element specified for the specified atom. If the optional argument is included the command sets the element to the value specified. The valid elements are: ppm The chemical shift of the specified atom. x The x coordinate of the specified atom. y The y coordinate of the specified atom. z The z coordinate of the specified atom. parent The atom number of the atom's parent. seq The sequence number of the specified atom. aname The name of the specified atom. rname The residue name of the specified atom.

nv_atom match

This command specifies what atoms are to be used when superimposing structuures. For example, to use backbone atoms use the following: nv_atom match * off nv_atom match *.ca on nv_atom match *.c on nv_atom match *.n on

nv_atom display

This command specifies what atoms are to be used when sending structu res to the Molecular Data Viewer. For example, to send only the coordinates of backbone atoms use the following: display * off display *.ca on display *.c on display *.n on