- align now supports triming to the chain extents in a reference molecular frame - peak list indices now start from 1 not 0 - bug fix in nmrstar sequence importer [entitys without sequences no longer crash the importer]
0.1.86
- align is now more robust: it matches to the longest matching element not the first!
0.1.85
- align wasn't aligning sub-sequences correctly - improvements to the shiftx2 readers chain handling
0.1.84
- remove bad debug code which was killing pipelines from align
0.1.83
- shiftx2 reader can read all formats output by shiftx2 - chains can now be renumber using pipes in python - shiftx2 can now calculate shifts using an alphafold structure looked up from a pdb code - added chains align command which can align the sequence of one frame to another frame by offsetting its sequence codes
0.1.82
- better handling of residue names that don't match the read sequence - fixed a bug in python 3.8 where annotations were stopping the nmrstar plugin loading - added a github actions test to check that the main entry point runs and all plugins are loaded