Fill Anomer Positions — fill_anomer

Add anomer positions to glycan structures with missing anomer position information. For example, "Gal(??-?)GalNAc(??-" is converted to "Gal(?1-?)GalNAc(?1-".

Usage

fill_anomer_pos(strucs)

Arguments

strucs: A glycan_structure() vector or glycan igraph with concrete or generic monosaccharides.

Value

An object of the same representation as strucs with anomer positions added where missing. Graph input retains its vertex IDs and order.

Details

For anomer positions that are already specified in the input structures, this function does not modify them.

For a structure with floating parts, the reducing-end position is inferred from the root of the main tree. Positions in virtual floating-part attachment linkages are inferred from each floating part's root residue.

Examples

glycans <- as_glycan_structure(c(
  "Gal(??-?)GalNAc(??-",
  "Neu5Ac(??-?)Gal(??-?)GalNAc(??-"
))
fill_anomer_pos(glycans)
#> <glycan_structure[2]>
#> [1] Gal(?1-?)GalNAc(?1-
#> [2] Neu5Ac(?2-?)Gal(?1-?)GalNAc(?1-
#> # Unique structures: 2