1 list all distances that are checked according to distance tabulation. Van der Waal's radii for up to 10 atom types. The first 4 are assumed to be for C,N,O and S and should not be changed. The others can be altered, if needed. A value should be given for any atom type present in the standard group dictionary.
Standard groups dictionary.
There is one group of cards for each commonly occurring amino acid and terminal group. Any desired solvent or prosthetic group can be added. This is the first card for each group. Does not contain coordinates. Coordinate card for atom in group.