Meeko

Latest version: v0.6.1

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0.6.1

Fix broken links to https://meeko.readthedocs.io in README.
Add parameter files to MANIFEST.in to have them installed from conda-forge and PyPI.

0.6.0

- refactored code for receptor preparation
- refactored core class, the `MoleculeSetup` and `RDKitMoleculeSetup`
- renamed `LinkedRDKitChorizo` to `Polymer`, and `ChorizoResidue` to `Monomer`
- several templates for nucleic acids
- automatically generate templates from the Chemical Component Dictionary (CCD)
- critical classes can be (de)serialized to/from JSON
- dropped openbabel, including the template option in mk_export.py
- handle alternate locations in receptor preparation
- export PDB of full receptor including docked positions of flexible sidechains

See the documentation at [meeko.readthedocs.io](https://meeko.readthedocs.io/)

0.6.0alpha.3

Restores reactive docking, which is disabled in prior v0.6.0.alphas.
Fixes a bug that broke compatibility with Ringtail (https://github.com/forlilab/Ringtail/issues/28)

0.6.0alpha.2

Enhanced receptor preparation. More information to come soon.

0.6.0alpha.1

Enhanced receptor preparation. More information to come soon.

0.6.0alpha

Enhanced receptor preparation. More information to come soon.

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