Create ImgCIF metadata from raw data, or a DIALS .expt file.

Setup

1. If you don't already have the conda command, download and install Miniforge.
2. Create the environment:

conda env create --file conda-env.yml

3. Activate the environment:

conda activate imgcif-creator

Activating the environment is temporary: if you open another terminal, you'll need to run this step again.

Run in a terminal

With the environment set up, run:

python -m imgCIF_creator.tui path/to/some/data

You can run it on files or folders of data in CBF, HDF5, TIFF or SMV format. Alternatively, if you already have a DIALS .expt experiment file, you can use that as input.

Run the web interface

With the environment set up, run:

streamlit run web/main.py

This will show a URL in the terminal to open in a browser. The web interface has an option to start by downloading files (up to 5 GB), or you can upload a DIALS .expt file.