Bug#976849: marked as done (ITP: density-fitness -- Calculates per-residue electron density scores real-space R, real-space correlation coefficient, EDIAm, and OPIA)
Your message dated Sun, 13 Dec 2020 22:00:09 +0000
with message-id <E1koZPV-000HTx-Cg@fasolo.debian.org>
and subject line Bug#976849: fixed in density-fitness 1.0.0-1
has caused the Debian Bug report #976849,
regarding ITP: density-fitness -- Calculates per-residue electron density scores real-space R, real-space correlation coefficient, EDIAm, and OPIA
to be marked as done.
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If this is not the case it is now your responsibility to reopen the
Bug report if necessary, and/or fix the problem forthwith.
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976849: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=976849
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--- Begin Message ---
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.
--- End Message ---
--- Begin Message ---
Source: density-fitness
Source-Version: 1.0.0-1
Done: maarten@hekkelman.com (Maarten L. Hekkelman)
We believe that the bug you reported is fixed in the latest version of
density-fitness, which is due to be installed in the Debian FTP archive.
A summary of the changes between this version and the previous one is
attached.
Thank you for reporting the bug, which will now be closed. If you
have further comments please address them to 976849@bugs.debian.org,
and the maintainer will reopen the bug report if appropriate.
Debian distribution maintenance software
pp.
Maarten L. Hekkelman <maarten@hekkelman.com> (supplier of updated density-fitness package)
(This message was generated automatically at their request; if you
believe that there is a problem with it please contact the archive
administrators by mailing ftpmaster@ftp-master.debian.org)
-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA256
Format: 1.8
Date: Tue, 08 Dec 2020 15:56:25 +0100
Source: density-fitness
Binary: density-fitness density-fitness-dbgsym
Architecture: source amd64
Version: 1.0.0-1
Distribution: unstable
Urgency: medium
Maintainer: Debian Med Packaging Team <debian-med-packaging@lists.alioth.debian.org>
Changed-By: Maarten L. Hekkelman <maarten@hekkelman.com>
Description:
density-fitness - Calculates per-residue electron density scores
Closes: 976849
Changes:
density-fitness (1.0.0-1) unstable; urgency=medium
.
* Initial release (Closes: #976849)
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