/relion-classranker

RELION automatic 2D class selection

Primary LanguagePythonGNU General Public License v3.0GPL-3.0

Classranker

This repository holds the code for training and running the model for the class ranking functionality of RELION.

Quick summary

The class ranker is part of the cryogenic electron microscopy (cryo-EM) dataset processing pipeline in RELION. It is used to automatically select suitable particles (EM images) assigned to 2D class averages for further downstream processing.

This model comprises two main components: a CNN responsible for extracting image features, and an MLP that combines the image features with additional statistics to assigns a score ranging from zero to one for each 2D class average.

The selection is subsequently done in RELION through a user defined cutoff for the predicted score.

For training, a supervised approach is adopted, where pairs of 2D classes and corresponding human-assigned scores are used to teach the model.

For more details see this paper.

Make dataset

To create a dataset, you need a STAR-file containing the following columns:

  • ClassScore - Ground truth score
  • SubImageStack - Input image path and index
  • NormalizedFeatureVector - Input feature vector

See EMPIAR data base (entry-ID 10812) for more details on how to generate datasets from raw data.

To train the model the STAR-file and all the images need to be preprocessed and serialized. Use make_dataset.py to do this:

python train/make_dataset.py <dataset root> <star file> --nr_valid <nr valid> --output <output file>

In the above, <dataset root> is the root directory of the references in the STAR-file (<star file>). <nr valid> is the number of images that will be reserved for validation.

Train model

After generating the dataset file above. Training can be done using the train.py, as follows:

python train/train.py <dataset file> --output <log directiry> --gpu 0

Citation

Published in Biochemical Journal 2021 (Volume 478, Issue 24). Bibtex:

@article{kimanius2021new,
  title={New tools for automated cryo-EM single-particle analysis in RELION-4.0},
  author={Kimanius, Dari and Dong, Liyi and Sharov, Grigory and Nakane, Takanori and Scheres, Sjors HW},
  journal={Biochemical Journal},
  volume={478},
  number={24},
  pages={4169--4185},
  year={2021},
  publisher={Portland Press Ltd.}
}