Bug#976849: ITP: density-fitness -- Calculates per-residue electron density scores real-space R, real-space correlation coefficient, EDIAm, and OPIA

["Maarten L. Hekkelman" <maarten@hekkelman.com>]

Package: wnpp
Severity: wishlist
Owner: "Maarten L. Hekkelman" <maarten@hekkelman.com>

* Package name    : density-fitness
  Version         : 1.0.0
  Upstream Author : Maarten L. Hekkelman <maarten@hekkelman.com>
* URL             : https://github.com/PDB-REDO/density-fitness
* License         : BSD-2-Clause
  Programming Lang: C++
  Description     : Calculates per-residue electron density scores real-space R, real-space correlation coefficient, EDIAm, and OPIA

The program density-fitness calculates electron density metrics,
for main- (includes Cβ atom) and side-chain atoms of individual residues.

For this calculation, the program uses the structure model in either PDB
or mmCIF format and the electron density from the 2mFo-DFc and mFo-DFc maps.
If these maps are not readily available, the MTZ file and model can be used
to calculate maps clipper. Density-fitness support both X-ray and electron
diffraction data.

This program is essentially a reimplementation of _edstats_, a program
available from the CCP4 suite. However, the output now contains only the
RSR, SRSR and RSCC fields as in _edstats_ with the addition of EDIAm
and OPIA and no longer requires pre-calculated map coefficients.

The software uses libpdb-redo, libcifpp and libzeep.