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- Fixes #1612 - add `MDAnalysis.analysis.dssp` module with the `DSSP` class for secondary structure analysis, using code implemented in pydssp package available for secondary structure annotation; source *pydssp* v.0.9.0 (https://github.com/ShintaroMinami/PyDSSP) by Shintaro Minami, distributed under MIT license. - include modified pydssp_numpy.py where einops was removed as a dependency and replaced with pure numpy operations - adds tests from pydssp package and many test files - add additional tests - add docs - update CHANGELOG - Add entry for pydssp in LICENSE --------- Co-authored-by: Oliver Beckstein <orbeckst@gmail.com> Co-authored-by: Yuxuan Zhuang <yuzhuang@stanford.edu>
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Original file line number | Diff line number | Diff line change |
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__all__ = [ | ||
"DSSP", | ||
"assign", | ||
"translate", | ||
] | ||
|
||
from .dssp import DSSP, assign, translate |
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