Changelog

All notable changes to this project will be documented in this file.

[1.1.0] - 2025-02-18

Added

new checkpoint with support for cystine residues

Fixed

fix UB bug that arises with consecutive cystine residues

[1.0.0] - 2025-02-07

Added

option to exclude solvent in output (--[no-]write-solvent)
check number of residues in input file; fail gracefully with helpful message

Changed

avoid usage of deprecated function (move socket file for async servers)
sanitise logging; --verbose controls all output

[0.1.0] - 2024-11-07

Added

initial public release