pymosflm

Python port of the famous crystallographic application

pymosflm is an experimental Python-based implementation inspired by MOSFLM, designed for handling crystallographic diffraction images. It currently supports opening and visualizing CBF and HDF5 files, though performance optimizations are still in progress.

Features

• Load and display CBF and HDF5, TIFF crystallographic images (most images actually, e.g. JPEG, PNG, etc. ...).
• Basic image contrast adjustments.
• Interactive visualization with PySide6.
• Support for resolution ring overlays.

Installation

Ensure you have Python 3.9+ installed, then clone the repository and install dependencies:

# Clone the repository
git clone https://github.com/markxbrooks/pymosflm.git
cd pymosflm

# Install dependencies
pip install -r requirements.txt

Dependencies

Ensure you have the following dependencies installed:

• Python 3.8+
• numpy
• h5py
• fabio
• matplotlib
• pycbf (optional, for enhanced CBF handling)

You can also install the required dependencies using:

pip install numpy h5py fabio matplotlib

Usage

Run the GUI with:

python imosflm/qtmosflm.py

You can open diffraction images in CBF or HDF5 format using the open button.

Roadmap

• Improve HDF5 file loading speed.
• Implement basic crystallographic data processing.
• Add support for additional image formats like TIFF.
• Enhance UI/UX with better contrast controls and histogram equalization.
• Enable integration with existing crystallographic software pipelines.

This project is in active development—stay tuned for updates!

Contributions

Contributions are welcome! Feel free to submit issues, feature requests, or pull requests.

License

pymosflm is released under the MIT License.