A simple Chemical Structure Generator.

• Python 3 (>= v3.8)
• PyQt5 (optional; >= v5.15.0 required for graphical front-end)
• Matplotlib (>= v3.3.1)

Change to the source directory and type the following command:

pip install -r requirements.txt

The required version of PyQt5 cannot be installed using pip on M1 MacBooks (tested on the MacBook Air) as of the time of writing. A workaround for this is as follows:

• Make sure you have installed Homebrew.

• Run the following commands for PyQt5 v5.15.4 running on Python 3.9 (replace versions in the command appropriately):

  brew install pyqt5
  mv /opt/homebrew/Cellar/pyqt@5/5.15.4_2/lib/python3.9/site-packages/* /Library/Frameworks/Python.framework/Versions/3.9/lib/python3.9/site-packages/
  

• Install matplotlib using pip:

  pip3 install matplotlib
  

• Run CSG:

  ./csg.py
  

Usage: csg.py [OPTION]
    Generate simple chemical structures.

Options:
    --cli           Run in the terminal
    --help,   -h    Show this help message and exit
    --version -V    Show version information and exit

Copyright © 2020-2021 Jithin Renji, Kannan MD, Pranav Pujar

CSG is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.

CSG is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. You should have received a copy of the GNU General Public License along with CSG. If not, see https://www.gnu.org/licenses/.