1.11.1 (January 15, 2026)
- Update pypi upload trigger by @janash in #2054
- Speedup some cython functions by enforcing nogil for exceptions (add return code) by @jeremyleung521 in #2049
- Minor bug fix for documentation equations by @shehan807 in #2060
- Drop numpy1 from testing/support, not building freethreading wheels, build linux-arm64 wheels by @jeremyleung521 in #2066
- Add support for "standard_names" keyword argument to Amber prmtop reader by @CharlieLaughton in #2057
- Fix docstring typo in compute_directors by @ctk3b in #2073
- Update dependabot weekly and pre-commit monthly by @jeremyleung521 in #2081
- Fixed typos and did minor reorganization in hdf5 docs by @MrMultiMediator in #2082
- Avoid linear search in topology subsetting by @jgullingsrud in #2085
- Updating macos-13 runner to macos-15-intel by @jeremyleung521 in #2088
- Python3.14 testing and building by @jeremyleung521 in #2089
- Official release of python 3.14 by @jeremyleung521 in #2090
- Fix pyparsing Deprecations by @jeremyleung521 in #2097
- Formal Charge from Mol2 Files by @jeremyleung521 in #2093
- Rewrite trajectory.py topology parsing with match/case by @jeremyleung521 in #2094
- Use repeated bonds in PDB CONECT records to increase bond orders (REMAKE of #1848) by @jeremyleung521 in #2083
- Simplify testing on python 3.14 (with openmm) by @jeremyleung521 in #2091
- Move all rcsb url downloads to https by @jeremyleung521 in #2106
- Add bond metadata (order and type) and formal charge to HDF5 by @janash in #2101
- Addressing some issues with
save_cifby @darianyang in #2103 - Fix to allow mdtraj.load() to load urls ending with pdb file extensions by @jeremyleung521 in #2115
- Update PyParsing deprecations by @mattwthompson in #2117
A total of 9 people contributed to this release.
People with a "+" by their names contributed to MDTraj for the first time.
- Jeremy Leung
- Jessica A. Nash
- Shehan Parmar +
- Charlie Laughton
- Christoph Klein
- MrMultiMediator +
- Justin Gullingsrud +
- Darian Yang +
- Matt. W. Thompson