Your message dated Thu, 22 Oct 2020 21:00:10 +0000
with message-id <e1kvhgw-000dxa...@fasolo.debian.org>
and subject line Bug#966355: fixed in denss 0.0.1+20200710gac8923a-1
has caused the Debian Bug report #966355,
regarding ITP: denss -- calculate electron density from a solution scattering
profile
to be marked as done.
This means that you claim that the problem has been dealt with.
If this is not the case it is now your responsibility to reopen the
Bug report if necessary, and/or fix the problem forthwith.
(NB: If you are a system administrator and have no idea what this
message is talking about, this may indicate a serious mail system
misconfiguration somewhere. Please contact ow...@bugs.debian.org
immediately.)
--
966355: https://bugs.debian.org/cgi-bin/bugreport.cgi?bug=966355
Debian Bug Tracking System
Contact ow...@bugs.debian.org with problems
--- Begin Message ---
Package: wnpp
Severity: wishlist
Owner: Sebastien Delafond <s...@debian.org>
X-Debbugs-Cc: debian-de...@lists.debian.org
* Package name : denss
Version : 0.0.1+20200710gac8923a
Upstream Author : Thomas Grant <tgr...@hwi.buffalo.edu>
* URL : https://github.com/tdgrant1/denss
* License : GPL-3
Programming Lang: Python
Description : calculate electron density from a solution scattering
profile
DENSS is an algorithm used for calculating ab initio electron density
maps directly from solution scattering data. DENSS implements a novel
iterative structure factor retrieval algorithm to cycle between real
space density and reciprocal space structure factors, applying
appropriate restraints in each domain to obtain a set of structure
factors whose intensities are consistent with experimental data and
whose electron density is consistent with expected real space
properties of particles.
.
DENSS utilizes the NumPy Fast Fourier Transform for moving between
real and reciprocal space domains. Each domain is represented by a
grid of points (Cartesian), N x N x N. N is determined by the size of
the system and the desired resolution. The real space size of the box
is determined by the maximum dimension of the particle, D, and the
desired sampling ratio. Larger sampling ratio results in a larger
real space box and therefore a higher sampling in reciprocal space
(i.e. distance between data points in q). Smaller voxel size in real
space corresponds to higher spatial resolution and therefore to
larger q values in reciprocal space.
--- End Message ---
--- Begin Message ---
Source: denss
Source-Version: 0.0.1+20200710gac8923a-1
Done: Sebastien Delafond <s...@debian.org>
We believe that the bug you reported is fixed in the latest version of
denss, 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 966...@bugs.debian.org,
and the maintainer will reopen the bug report if appropriate.
Debian distribution maintenance software
pp.
Sebastien Delafond <s...@debian.org> (supplier of updated denss 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 ftpmas...@ftp-master.debian.org)
-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA512
Format: 1.8
Date: Fri, 25 Sep 2020 09:25:35 +0200
Source: denss
Binary: python3-denss
Architecture: source all
Version: 0.0.1+20200710gac8923a-1
Distribution: unstable
Urgency: medium
Maintainer: Debian Science Maintainers
<debian-science-maintain...@lists.alioth.debian.org>
Changed-By: Sebastien Delafond <s...@debian.org>
Description:
python3-denss - calculate electron density from a solution scattering profile
Closes: 966355
Changes:
denss (0.0.1+20200710gac8923a-1) unstable; urgency=medium
.
* First release (Closes: #966355)
Checksums-Sha1:
a127cead25e748ef94326b5acdb034ed40b2d4b8 1749
denss_0.0.1+20200710gac8923a-1.dsc
874dd0a803eadfbbb2423997fd648ff1a8996ba7 92220
denss_0.0.1+20200710gac8923a.orig.tar.xz
01e01f65accf9d62079c2ec2e017b37dfbb19a3b 1744
denss_0.0.1+20200710gac8923a-1.debian.tar.xz
83e475137fc3518cee4dea7f65080a29975a37df 6215
denss_0.0.1+20200710gac8923a-1_amd64.buildinfo
83d60bf714b4598bba57eb291b919d16345dbccd 55728
python3-denss_0.0.1+20200710gac8923a-1_all.deb
Checksums-Sha256:
0e27ba2430ae451ea375309ad9d434e00a79f9d28a5b0624d80cccaf2471cd74 1749
denss_0.0.1+20200710gac8923a-1.dsc
3c1314356c8850eb6f018016860e3eb10b41e790e65e0e0bc2326613ff94692b 92220
denss_0.0.1+20200710gac8923a.orig.tar.xz
e116bb52cd81b826e8ad807477509627d992176f57648c424c16a5c6a880345a 1744
denss_0.0.1+20200710gac8923a-1.debian.tar.xz
0deae819ce960034e9390b6d7da0ec7db79579facbe5007a8b2511a24a61c917 6215
denss_0.0.1+20200710gac8923a-1_amd64.buildinfo
efd6a8b372b75faa3e884a03fa55a7503b67244bc629d7998598c8ccf5f178d0 55728
python3-denss_0.0.1+20200710gac8923a-1_all.deb
Files:
be5dd30fa3d83f35c56dfdefb7e3e0c7 1749 python optional
denss_0.0.1+20200710gac8923a-1.dsc
8bba004957fe31cb62ca3a4cf7cef7ea 92220 python optional
denss_0.0.1+20200710gac8923a.orig.tar.xz
39eeb835a7e870e98ad6f2bafc6fcf42 1744 python optional
denss_0.0.1+20200710gac8923a-1.debian.tar.xz
9cfcdad69fa9cb662c20e6de5d3da7a4 6215 python optional
denss_0.0.1+20200710gac8923a-1_amd64.buildinfo
2cf65f2c5c4165075a71b7f4f5b56d09 55728 python optional
python3-denss_0.0.1+20200710gac8923a-1_all.deb
-----BEGIN PGP SIGNATURE-----
iQEzBAEBCgAdFiEEAqSkbVtrXP4xJMh3EL6Jg/PVnWQFAl9tpRkACgkQEL6Jg/PV
nWSMPwgAqRJy5xe+toupxYUiJ949RLQlfXuf1OFU2rpgkGOHklsUvUlB0pLQsdnZ
FgdxO4Y/BZgZTnFa8cKcs2jsS36TCkEjE2CYTp1fy6wqtgv5iaJOhczQYZCMyI8H
4Up/ywdTgXiaXm3WnxrrVttzvifp/BTYjN57wIYIwGOGOqIfl7lfdN6vIdNoDDLw
8WDEpVYa/piNIzHCoaR+jwh9xXCOBUbANhVOCIDNOCR5P0nnIgOZUPeLQj2BMPlt
YyVZJNSZbCqs+/9KR9ZZxqao5lEgTQqstdMwz+ZaFbFuEh3Vi9/YPY9o52F4DnkV
hxOKuVgIIwnEYqgp+vy2wPZUdnPdyA==
=HaZh
-----END PGP SIGNATURE-----
--- End Message ---
