DENSS has been refactored to be compatible with modern Python recommendations. This allows DENSS to be on the official PyPI repository. Now DENSS can be conveniently installed with:
pip install denssThis will automatically install the necessary packages (NumPy and SciPy) and versions to run DENSS. If you would like to automatically install matplotlib as well (for the convenient plotting options for some DENSS scripts), you can instead type:
pip install 'denss[plotting]'This was a fairly large refactoring of the core DENSS code. This results in scripts being called slightly differently than previously. Now, to run the standard single ab initio reconstruction of DENSS (what used to be called denss.py), simply type:
denss -f 6lyz.outAll scripts have now been renamed. There are no dots in script names anymore (dots have been replaced with hyphens), and there is no trailing .py extension. Otherwise, the scripts all run the same.