CASP14_MR_evaluation

This repository contains the data and notebooks used for the analysis described in the manuscript "Assessing the utility of CASP14 models for molecular replacement", found at https://onlinelibrary.wiley.com/doi/10.1002/prot.26214

reLLG evaluation

Contains two notebooks, one per each category (prediction and refinement) as well as all the raw data required to run them

• Open CASP_ReLLG_Exploration_Results_Refinement_Category.ipynb in colab
• Open CASP_ReLLG_Exploration_Results_Prediction_Category.ipynb in colab

LLG evaluation

Contains a notebook and two tables with the information required to run the analysis. It can be opened in collab and see the tables and plots but it is not currently supporting its running there.

• Open assess_casp14_MR_paper.ipynb in Colab