Julia interface to chemfiles

This is the documentation for the Julia interface to the chemfiles library. The Julia interface to chemfiles wraps around the C interface providing a Julian API. All the functionalities are in the Chemfiles module, which can be imported by the using Chemfiles expression. The Chemfiles module is built around the main types of chemfiles: `Trajectory`_, `Frame`_, `UnitCell`_, `Topology`_, `Residue`_, `Atom`_, and `Selection`_.

Warning

All indexing in chemfiles is 0-based! That means that the first atom in a frame
have the index 0, not 1. This is because no translation is made from the

underlying C library.

This may change in future release to use 1-based indexing, which is more familiar
to Julia developers.

Installation

You will need to use a recet version of Julia (Julia >= 0.5), and then you can install the Chemfiles package by running the following at Julia prompt:

julia> Pkg.add("Chemfiles")

julia> # You may also want to run the test suite with:

julia> Pkg.test("Chemfiles")