mollib 1.0.5

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Mollib is a *unified* command-line program and Python library for the
validation, quality analysis and manipulation of molecular structures with an
emphasis on biophysical analysis. Mollib is built on a plugin framework to
easily add new tools to manipulate and analyze structures and data, which can
then be *combined* and *cross-validated*.

Mollib includes tools for:

- The :ref:`processing <process-command>` and protonation of
molecules.
- The analysis of :ref:`hydrogen bonds <hbonds-command>` and hydrogen bond
quality compared to the highest-resolution PDB structures. Hydrogen bonds
are classified based on their acceptor-donor residues and Ramachandran
angles
- The :ref:`measurement <measure-command>` of geometries within molecules
as well as the reporting and classification of Ramachandran angles.
- The statistical analysis and comparison of structures to high-resolution
crystal structures.
- The analysis of :ref:`partial alignment <pa-command>` data with residual
dipolar coupling (RDC) and residual anisotropic chemical shift (RACS, a.k.a
RCSA) data.