Bug#676658: marked as done (ITP: chemfp -- Cheminformatics fingerprints file formats and tools)
Your message dated Sat, 09 Jun 2012 10:02:26 +0000
with message-id <E1SdIV0-0003Al-GY@franck.debian.org>
and subject line Bug#676658: fixed in chemfp 1.0-1
has caused the Debian Bug report #676658,
regarding ITP: chemfp -- Cheminformatics fingerprints file formats and tools
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.
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--
676658: http://bugs.debian.org/cgi-bin/bugreport.cgi?bug=676658
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--- Begin Message ---
Package: wnpp
Severity: wishlist
Owner: Debichem Team <debichem-devel@lists.alioth.debian.org>
* Package name : chemfp
Version : 1.0
Upstream Author : Andrew Dalke <dalke@dalkescientific.com>
* URL : http://code.google.com/p/chem-fingerprints/
* License : MIT
Programming Lang: C/Python
Description : Cheminformatics fingerprints file formats and tools
Chem-fingerprints is a set of formats and related tools for the storage,
exchange, and search of cheminformatics fingerprint data sets.
.
It translates fingerprints from the OpenBabel and RDKIT and
cheminformatics packages (as well as the proprietary OEChem package)
into the binary FPS format.
.
Besides python modules, it provides the following tools:
.
* sdf2fps - Extract fingerprint data from SD tags
* ob2fps - Use OpenBabel to generate fingerprints from structures
* rdkit2fps - Use RDKit to generate fingerprints from structures
* oe2fps - Use OEChem/OEGraphSim to generate fingerprints from structures
* simsearch - Do threshold or k-nearest neighbor Tanimoto similarity searches
between two FPS files
--- End Message ---
--- Begin Message ---
Source: chemfp
Source-Version: 1.0-1
We believe that the bug you reported is fixed in the latest version of
chemfp, which is due to be installed in the Debian FTP archive:
chemfp_1.0-1.debian.tar.gz
to main/c/chemfp/chemfp_1.0-1.debian.tar.gz
chemfp_1.0-1.dsc
to main/c/chemfp/chemfp_1.0-1.dsc
chemfp_1.0.orig.tar.gz
to main/c/chemfp/chemfp_1.0.orig.tar.gz
python-chemfp_1.0-1_amd64.deb
to main/c/chemfp/python-chemfp_1.0-1_amd64.deb
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 676658@bugs.debian.org,
and the maintainer will reopen the bug report if appropriate.
Debian distribution maintenance software
pp.
Michael Banck <mbanck@debian.org> (supplier of updated chemfp 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@debian.org)
-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA1
Format: 1.8
Date: Fri, 08 Jun 2012 16:04:49 +0200
Source: chemfp
Binary: python-chemfp
Architecture: source amd64
Version: 1.0-1
Distribution: unstable
Urgency: low
Maintainer: Michael Banck <mbanck@debian.org>
Changed-By: Michael Banck <mbanck@debian.org>
Description:
python-chemfp - Cheminformatics fingerprints file formats and tools
Closes: 676658
Changes:
chemfp (1.0-1) unstable; urgency=low
.
* Initial release (Closes: #676658).
Checksums-Sha1:
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72499e5a22b5b2157dd40330cdd907b4a7f58425 280570 chemfp_1.0.orig.tar.gz
d4b96ddb5eb5022df64eb6ff0f95765955e725e6 5825 chemfp_1.0-1.debian.tar.gz
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Checksums-Sha256:
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Files:
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a3536710efe813340b6880320478c8f0 5825 science optional chemfp_1.0-1.debian.tar.gz
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--- End Message ---
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