Crate chelate

Modules

cif

mol

mol2

pdb

xyz

Structs

Atom

Bond

Enums

FileType

Enum to declare one of the supported chemical filetypes

Functions

from_file

Parses a file based on the FileType and returns a vector of Atom and a vector of Bond objects.

parse

Parses a file based on the FileType and returns a vector of Atom and a vector of Bond objects.