Quast, N. P.; Deane, C. M.; Raybould, M. I. J.

Summary: Computational methods to guide early-stage TCR drug discovery and TCR repertoire informatics currently under-utilise solved and predicted structure data. Here, we streamline use of these data through an open-source python package for high-throughput TCR structure handling and analysis (STCRpy), facilitating analyses such as TCR:peptide-MHC complex orientation calculation/scoring, root-mean-square-distance evaluation, interaction profiling, and machine learning dataset curation. Availability and implementation: Freely available as a Python package at https://github.com/npqst/STCRpy. Contact: [email protected], [email protected]