Source-code version

Requirements

The source-code version of MMMx runs under Matlab 2019b or later and requires the Matlab Optimization, Global Optimization, Parallel Computing, and Statistics and Machine Learning toolboxes. Please use the executable version if you do not have a license for this software, but note that the executbale version is only infrequently updated.

For certain functionality, MMMx relies on third-party software, such as SCWRL4, ATSAS, MUSCLE, MSMS, DSSP, HYDROPRO, or YASARA. Except for YASARA structure, which we use for structure refinement, this software is freely available for academic purposes, but may require registration and a license agreement.

Download

The current version of the source code is available at GitHub. Accessing it through GitHub Desktop is the most convenient way of keeping it updated. Otherwise, the package can also be downloaded via the <> Code button and the Downlaod ZIP menu item. Unpack the ZIP file.

Matlab path

The main MMMx directory and all its subdirectories must be on the Matlab path. Likewise, the directories of all required third-party software, often including subdirectories, must be on the Matlab path.

Getting started

Type MMMx help or MMMx docs to access the documentation.

Type MMMx demo_distributions.mcx to run a first example. Examples exist for all modules.

Type just MMMx to open a file browser. You can select any MMMx control file (.mcx) to run a modeling pipeline.

For programmatic access from within Matlab, refer to the programmer’s documentation.