Coordinates AL intrinsics

Distance (sequence sq1; nucleus nu1; sequence sq2; nucleus nu2; integer a5) result real

Return the distance between the given nuclei in the given sequence residues in the given coordinate set. If the coordinate set number is 0, then the shortest distance among all loaded coordinate sets is returned. The nuclei specification is interpreted in terms of the largest nucleus group which the given nucleus is in; this implies that the specification is assumed to be non-stereospecific, and that the shortest distance for the possible nuclei in the nucleus group is returned.

Coordinates () result integer

Return the number of loaded coordinate sets.

Neighbours (sequence list sql; nucleus list nul; sequence sq; nucleus nu; real r; integer i)

Return list of nuclei (nul) in sequence residues (sql) that are neighbours within the given distance cutoff r for the coordinate set number i. If the coordinate set number is 0, then the search is made among all coordinate sets, and all nuclei that are neighbours in any of the sets are output.