First you need to install the Julia language in your platform, from: Julia version 1.6 or greater is required.

Next, run julia, and within the julia REPL interface, install the ComplexMixtures package using

julia> import Pkg

julia> Pkg.add("ComplexMixtures")

or simply

julia> ] add ComplexMixtures

To follow all the examples provided in this manual, the PDBTools and Plots have to be installed as well:

julia> ] add PDBTools, Plots

If you are first-time julia user, load these packages for the first time after installation. Loading the Plots package, in particular, may take quite a while when done for the first time, because it is compiled at this point (this was greatly improved in Julia versions greater than 1.6, which are highly recommended). To load the packages, use:

using ComplexMixtures, PDBTools, Plots

If no errors were shown in any of these steps, the packages are ready to be used following the instructions and examples.


By loading the package with

using ComplexMixtures

the most common functions of the package become readily available by their direct name, for example mddf(...).

If you don't want to bring the functions into the scope of your script, use

import ComplexMixtures

Then, the functions of the package are called, for example, using ComplexMixtures.mddf(...). To avoid having to write ComplexMixtures all the time, define an accronym. For example:

import ComplexMixtures 
const CM = ComplexMixtures