Installation

PyeMap officially supports Python versions 3.7 and later, and has been tested for Linux and OSX platforms.

Pip

Pip installation will only install python dependencies. This is sufficient to run PyeMap analysis, but some features will be missing:

$ pip install pyemap

For full functionality, install the following packages:

• RDKit: visualization of chemical stuctures

• MSMS: residue depth criterion for surface exposed residues (not available on MacOS Catalina)

• DSSP: solvent accessibility criterion for surface exposed residues

• MUSCLE: Multiple sequence alignment

• Graphviz: visualization of graphs

• PyGraphviz : visualization of graphs

All of these packages can be downloaded free of charge from their respective owners, and build recipes are available on the Anaconda cloud for some platforms.