HTML GUI for SIME and flask.
For better results, create a conda environment and activate it like:
conda create -n SIME python
then:
conda activate SIME
Then install all needed dependencies from requirements.txt
in the following way:
pip install -r requirements.txt
Start Flask server :
python main.py
Then type the following line in your browser to load SIME software GUI.
Use the parameters as needed, and click Submit to generate your in-silico library of fully assembled macrolides.
The resulting info file and smile file(s) will be found in LIBRARIES folder with the time stamp within the file names.