A simple Chemical Structure Generator with python

CSG

A simple Chemical Structure Generator.

csg_demo

Requirements

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

Install Dependencies

Change to the source directory and type the following command:

pip install -r requirements.txt

macOS Big Sur on Apple M1 chip

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:

Install 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
```
It should work. If not, please open an issue.

Usage

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