Dictionary AL intrinsics

Residues () result residue list

Return a list of all residue types in the dictionary.

Residue (nucleus nu) result residue

Return the residue type for the given nucleus.

Nuclei (residue rs) result nucleus list

Return a list of all nuclei in the given residue type.

Nuclei (nucleus nu) result nucleus list

Return a list of all nuclei the given nucleus group. If the given nucleus is not a group, then the returned list will be empty.

Probability (nucleus nu; real re; spectrum sp) result real

Return a probability measure that the given nucleus is the true assignment for the given chemical shift in the given spectrum. The probability value is modulated by the number of remaining unassigned such nuclei in the sequence in the given spectrum.

Group (nucleus nu) result logical

Return true if the given nucleus is a group.

Labile (nucleus nu) result logical

Return true if the given nucleus has been flagged as labile in the dictionary.

Number (nucleus nu) result integer

Return the number of equivalent spins set for the nucleus in the dictionary.

Expnucleus (nucleus nu) result expnucleus

Return the expnucleus for the given dictionary nucleus.

Distance_correction (nucleus nu) result real

Return the distance correction value for the given dictionary nucleus.

Chemical_shift (real inout re1, inout re2; nucleus nu; logical inout b)

Return the typical chemical shift and standard deviation in the variables re1 and re2, respectively, for the nucleus nu. If no value has been defined for the nucleus, then the logical b is set to true.

Coupled (nucleus nu1, nu2; string s) result logical

Return true if the two dictionary nuclei (which must be in the same dictionary nucleus are coupled to each other by the given type of coupling, which is either "1J" or "3J".

Coupled (nucleus nu; string s) result nucleus list

Return a list of all nuclei in the same dictionary residue which the given nucleus is coupled to by the given type of coupling, which is either "1J" or "3J".

Coupled (sequence list sql1; nucleus list nul1; sequence list sql2; nucleus list nul2; string s; logical inout b)

Retain only those pairs of residue/nucleus in each set of lists (sql1/nul1 and sql2/nul2) which have a coupling partner in the other set of lists. The input lists must be organized so that the sequence for a nucleus has the same slot number in its list as the nucleus in its list. If a sequence/nucleus pair in one set of lists has no partner in the other set of lists, given the coupling type specified in s (which is either "1J" or "3J") then that sequence/nucleus pair is removed the lists. The logical b becomes true if any changes were made to the lists in the procedure.

Within_group (nucleus a1) result nucleus

Return the group nucleus which the given nucleus is in, if any.