v1.2.0

command line interface added for basicrta scripts

What's Changed

• let cluster.ProcessProtein.reprocess() skip residues with insufficien… by @orbeckst in #52
• initial working cli by @rsexton2 in #46

Full Changelog: v1.1.3...v1.2.0

v1.1.3

What's Changed

• Update CHANGELOG.md with rel 1.1.2 date by @orbeckst in #41
• fix handling of gskip in cluster-py --gskip by @orbeckst in #49
• fixed docs for gskip default by @orbeckst in #51
• code clean up by @orbeckst in #50

Full Changelog: v1.1.2...v1.1.3

v1.1.2

Bug fixes.

See CHANGELOG for details.

What's Changed

• Fix contacts script by @rjoshi44 in #36
• fix cluster script by @orbeckst in #38
• Improve coverage by @orbeckst in #39
• more fixes for clustering by @orbeckst in #40

Full Changelog: v1.1.1...v1.1.2

v1.1.1 release (bug fix)

Issues #27 and #32 were fixed.

What's Changed

• Max cutoff fix27 by @rsexton2 in PR #31 (issues #27 and #32)

Full Changelog: v1.1.0...v1.1.1

v1.1.1 (alpha 0) --- testing

No changes, this release is primarily for testing automatic deployment.

What's Changed

• improve deployment by @orbeckst in #26
• removed placeholder MDA logo test by @orbeckst in #30

Full Changelog: v1.1.0...v1.1.1a0

v1.1.0

What's Changed

• Add support for combining contact timeseries from multiple repeat runs by @copilot-swe-agent in #17

New Contributors

• @copilot-swe-agent made their first contribution in #17

Full Changelog: v1.0...v1.1

v1.0

Code corresponding to publication (updates references).

What's Changed

• fix citation in reST docs by @orbeckst in #7
• update codcov action in workflow by @orbeckst in #9
• temporarily exclude windows-latest from CI by @orbeckst in #11
• Fix package detection and installation by @ianmkenney in #12
• added option processing for label-cutoff to cluster.py by @rjoshi44 in #13

New Contributors

• @ianmkenney made their first contribution in #12
• @rjoshi44 made their first contribution in #13

Full Changelog: v0.2...v1.0

v0.2

Workflow executable through command-line, updated docs/tutorial

Full Changelog: v0.1.7...v0.2

v0.1.2

release for pypi testing

Full Changelog: v0.1.1...v0.1.2

v0.1.1

Release for addition to PyPi

Full Changelog: v0.1.0...v0.1.1