diff --git a/docs/src/elements.md b/docs/src/elements.md index 6ca211a..4a221f3 100644 --- a/docs/src/elements.md +++ b/docs/src/elements.md @@ -98,6 +98,27 @@ add_element! remove_custom_elements! ``` +## Additional property-retrieving functions + +The following functions are supported as part of the API, as a intending to interface +with `AtomsBase`. Nevertheless, currently these functions do not overload the exported +ones from `AtomsBase`, because that package is in a unstable state. + +| Function | Example | Output | +|:-----------|:----------------------|:-------:| +|`atomic_number(::PDBTools.Atom)` | `atomic_number(Atom(name="NE2"))` | `7` | +|`atomic_symbol(::PDBTools.Atom)` | `atomic_symbol(Atom(name="NE2"))` | `:N` | +|`atomic_mass(::PDBTools.Atom)` | `atomic_mass(Atom(name="NE2"))` | `14.0067` | +|`position(::PDBTools.Atom)` | `position(Atom(name="NE2"))` | `SVector{3,Float64}(0,0,0)` | + + +```@docs +atomic_number +atomic_symbol +atomic_mass +position +``` +