Installation of CDTK

Requirements

you need the following programs installed before you can procceed

1. XMOLECULE (which requires XATOM). Both are inclued in XRAYPAC.

2. if you like to interface with GAMESSUS, you need GAMESSUS.

3. you need python version > 3

Installation Instructions

In the CDTK base directory call:

pip install .

to install CDTK in your local python environment