Microstates Analysis

Reorganization

The Microstate-Code folder is no longer 'flat', but the benefit is that you do not have to move python modules around, rather, you define paths to your data and run the analysis from this "analytics" folder.

New folders:

• analyze : The source folder; contains python modules that are importable via from analyze import x.
• notebooks: Notebooks for computations or tutorials.

New Notebook:

• charg_ms.ipynb: Provides a start for getting to know MCCE structures; 'MCCE to MD' project.

New modules:

• update_msa.py: Used to obtain the most up-to-date features from Stable_MCCE/bin/ms_analysis.py. Usage:

  1. cd to analyze folder;
  2. rename existing ms_analysis.py to e.g. ms_analysis.py.old;
  3. at the command line type: python update_msa.py and press enter

• __init__.py: Makes analyze importable.