Hi all,
Q: How must the numbers returned by the atom property function
"{selected_atom}.substructure" be translated into the corresponding
secondary structure types?
The scripting documentation (13.0 and 13.2) contains this description:
------------
Used with select substructure=x, x can be either the quoted keyword
"none", "turn", "sheet", "helixalpha", "dna", "rna", "carbohydrate",
"helix310", or "helixpi", or the respective number 0-9. In the context
{*}.substructure, the return value is a number; in the context label
%[substructure], the return is one of the nine keywords. (Jmol 12.0)
------------
In Jmol 13.1.13 in the example '1DEH, chain A, residue 47' the number
returned (=8) does not correspond to the position of the keyword
'helixalpha' (=4 if counted from 1; =3 if counted from 0) which is
reported by the label command.
For the for example residues below only three would fit into the keyword
list from the documentation (0,2,7; if counted from 0):
111.CA = 0 = none
7.CA = 2 = sheet
361.CA = 7 = helix310
47.CA = 8 = helixalpha
Besides there are mentioned 10 numbers (0-9) but only nine keywords.
Regards,
Rolf
--
Rolf Huehne
Postdoc
Leibniz Institute for Age Research - Fritz Lipmann Institute (FLI)
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