AQME-ROBERT-workflow

Instructions to create and use the 'cheminf' conda environment from a YAML file

1. Open Anaconda Prompt

   • On Windows: Search for 'Anaconda Prompt' in the Start menu and open it.
   • On Linux/Mac: Open your preferred terminal.

2. Navigate to the folder where the YAML file is saved For example: cd C:\Users\YourUsername\YourFolder

3. Create the environment by running: conda env create -f env.yaml

4. Wait for the installation to finish.

5. Activate the environment: conda activate cheminf

6. To use the graphical user interface (easyROB.py): python easyrob.py