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Summary:
Calculate Root-mean-square deviation (RMSD) of two molecules, using rotation, in xyz or pdb format
Latest version:
1.7.0
Required dependencies:
numpy
|
scipy
Optional dependencies:
build
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jupyterlab
|
jupytext
|
matplotlib
|
monkeytype
|
packaging
|
pip
|
pre-commit
|
pytest
|
pytest-benchmark
|
pytest-cov
|
qmllib
|
ruff
|
twine
|
ty
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