QCLObot

An automatically generating guess file based on QCLO method for quantum chemistry program, ProteinDF.

What you need to use ProteinDF_pytools

• Python 3.8 or later
• Python modules
  • ProteinDF_bridge
  • ProteinDF_pytools

Manual (sorry, in progress)

https://proteindf.github.io/QCLObot/

How to install QCLObot

Clone a copy of the main QCLObot git repo by running:

git clone git://github.com/ProteinDF/QCLObot.git

Enter the source directory and run build script:

$ cd QCLObot
$ python setup.py build
$ python setup.py install

Documents

sorry, in preparation.

License

QCLObot is licensed under the GNU GPL v3. The source code can be found on the Github.

Bugs

If you find any bugs, please let me know. And if you have a suggestion for improvement, please let me know.