RTAB Instruction
RTAB codename atomnames
Chiral volumes (one atomname), bonds (two), angles (three) and torsion angles
(four atomnames) are tabulated compactly against residue name and number.
codename is used to identify the quantity being printed; it must begin with a
letter and not be longer than 4 characters (e.g. 'Psi' or 'omeg'). There may
not be more than 4 atom names. It is assumed that the atoms have the same
names in all the required residues. For chiral volumes only, the necessary
bonds must be present in the connectivity list (the same conventions are
employed as for CHIV). Since the atoms do not themselves have to be in the
same residue (it is sufficient that the names match), the residue name (if
any) is printed as that of the first named atom for distances, the second for
angles, and the third in the case of torsion angles. The latter should be
consistent with generally accepted conventions for proteins. A typical
application of RTAB for small-molecule structures is the tabulation of
hydrogen-bonded distances and angles (with esd's) since these will not usually
appear in the tables created automatically by BOND.
If RTAB refers to more than one residue (e.g. RTAB_*), it is ignored for
those residues in which not all the required atoms can be found (e.g. some of
the main chain torsional angles for the terminal residues in a protein).