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@a-r-j a-r-j released this 16 Mar 17:32
· 165 commits to master since this release
v1.2.1
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What's Changed

  • [WIP][Protein] add vector node features. by @a-r-j in #124

  • [WIP] add PDB and PyMol utilities [utils] by @a-r-j in #121

  • fix edges functions adding nodes to graphs with chain selections #134 by @a-r-j in #136

  • [Feature] - #124 adds support for vector features associated protein protein geometry. #120 #122

  • [Feature] - #124 adds visualisation of vector features in 3D graph plots.

  • [Feature] - #121 adds functions for saving graph data to PDB files.

  • [Bugfix] - #136 changes generator comprehension when updating coordinates in subgraphs to list comprehension to allow pickling

  • [Bugfix] - #136 fixes bug in edge construction functions using chain selections where nodes from unselected chains would be added to the graph.

Breaking Changes

  • #124 refactors graphein.protein.graphs.compute_rgroup_dataframe and moves it to graphein.protein.utils. All internal references have been moved accordingly.

Full Changelog: v1.2.0...v1.2.1

Contributors

a-r-j
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