v3.0.0-beta.5

haddock3 beta 5 release

What's Changed

• Clean and postprocess true by @mgiulini in #712
• Glycan example by @mgiulini in #711
• Tweak CI by @rvhonorato in #717
• Add topoaa integration test stub by @rvhonorato in #716
• Glycan 1 6 by @amjjbonvin in #714
• add function and variable annotations by @alchemistcai in #645
• added symmetry energy to output by @mgiulini in #723
• Integration tweak by @rvhonorato in #726
• Implement type annotations by @rvhonorato in #724
• commented workdir parameter by @mgiulini in #708
• Randomisation of starting orientations at flexref by @amjjbonvin in #729
• Haddock3 restraints by @mgiulini in #732
• removed xaxis sharing in report by @mgiulini in #736
• alascan module by @mgiulini in #690
• added bsa box plot by @mgiulini in #737
• added fnat - energy scatter plots by @mgiulini in #725
• Add missing parameters and update compare_runs.py by @amjjbonvin in #743
• contact map analysis module by @VGPReys in #731
• Updated color scheme of chord chart by @amjjbonvin in #745
• updated freesasa by @mgiulini in #748
• short description in haddock3-cfg CLI by @mgiulini in #753
• Bugfix traceback contactmap by @mgiulini in #751
• added description to analysis modules by @mgiulini in #688
• show gzipped structures in analysis report by @mgiulini in #758
• modif float comparisons in contact map tests by @VGPReys in #764
• Deep CNS scripts checking and example cleaning by @amjjbonvin in #763
• update protein-peptide examples/ files by @amjjbonvin in #768
• update key deletion logic in topoaa by @VGPReys in #766
• corrected crossbar values by @mgiulini in #771
• ilrmsdmatrix module by @mgiulini in #685
• Cli score fix by @mgiulini in #783
• uniform running modes by @mgiulini in #775
• Solves issue #785 about unstable energies when changing the param file by @amjjbonvin in #787
• Add topo/params for covalent docking Serine (SEC) - issue #757 by @amjjbonvin in #788
• Fix prot segid by @mgiulini in #780

New Contributors

• @alchemistcai made their first contribution in #645

Full Changelog: v3.0.0-beta.4...v3.0.0-beta.5