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Bug#420734: marked as done (ITP: propka -- Modifies the protonation state of protein structures)

Your message dated Wed, 16 Mar 2011 10:32:09 +0000
with message-id <E1Pzo1R-0005LU-Vq@franck.debian.org>
and subject line Bug#420734: fixed in pdb2pqr 1.7-1
has caused the Debian Bug report #420734,
regarding ITP: propka -- Modifies the protonation state of protein structures
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 owner@bugs.debian.org
immediately.)


-- 
420734: http://bugs.debian.org/cgi-bin/bugreport.cgi?bug=420734
Debian Bug Tracking System
Contact owner@bugs.debian.org with problems
--- Begin Message --- 
Package: wnpp
Severity: wishlist
Owner: Manuel Prinz <debian@pinguinkiste.de>


* Package name    : propka
  Version         : 1.0.0
  Upstream Author : Jan Jensen <jhjensen@theory.ki.ku.dk>
* URL             : http://propka.ki.ku.dk/
* License         : GPL
  Programming Lang: Fortran
  Description     : Modifies the protonation state of protein structures

  PropKa is a tool to modify the protonation state of a protein 
  structure in the Protein Data Bank (PDB) format to match a given pKa
  value.
  .
  It can also be used to refine NMR structures, which often yield 
  inaccurate pKa values for some residues.
  .
  The PROPKA method is described in Hui Li, Andrew D. Robertson, and
  Jan H. Jensen "Very Fast Empirical Prediction and Interpretation of 
  Protein pKa Values" Proteins, 2005, 61, 704-721

Note: The program is currently only distributed by the author on 
request, since noone ever packaged it in a distributable form. I'm 
working on that with upstream, so a tarball is hopefully available soon.


-- System Information:
Debian Release: 4.0
  APT prefers stable
  APT policy: (500, 'stable')
Architecture: amd64 (x86_64)
Shell:  /bin/sh linked to /bin/bash
Kernel: Linux 2.6.18-4-amd64
Locale: LANG=de_DE.UTF-8, LC_CTYPE=de_DE.UTF-8 (charmap=UTF-8)

Attachment: signature.asc
Description: Dies ist ein digital signierter Nachrichtenteil


--- End Message ---
--- Begin Message --- 
Source: pdb2pqr
Source-Version: 1.7-1

We believe that the bug you reported is fixed in the latest version of
pdb2pqr, which is due to be installed in the Debian FTP archive:

pdb2pqr-doc_1.7-1_all.deb
  to main/p/pdb2pqr/pdb2pqr-doc_1.7-1_all.deb
pdb2pqr_1.7-1.debian.tar.gz
  to main/p/pdb2pqr/pdb2pqr_1.7-1.debian.tar.gz
pdb2pqr_1.7-1.dsc
  to main/p/pdb2pqr/pdb2pqr_1.7-1.dsc
pdb2pqr_1.7-1_amd64.deb
  to main/p/pdb2pqr/pdb2pqr_1.7-1_amd64.deb
pdb2pqr_1.7.orig.tar.gz
  to main/p/pdb2pqr/pdb2pqr_1.7.orig.tar.gz
propka_1.7-1_amd64.deb
  to main/p/pdb2pqr/propka_1.7-1_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 420734@bugs.debian.org,
and the maintainer will reopen the bug report if appropriate.

Debian distribution maintenance software
pp.
Manuel Prinz <manuel@debian.org> (supplier of updated pdb2pqr 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: Sun, 30 Jan 2011 11:53:54 +0100
Source: pdb2pqr
Binary: pdb2pqr pdb2pqr-doc propka
Architecture: source amd64 all
Version: 1.7-1
Distribution: unstable
Urgency: low
Maintainer: DebiChem Team <debichem-devel@lists.alioth.debian.org>
Changed-By: Manuel Prinz <manuel@debian.org>
Description: 
 pdb2pqr    - Preparation of protein structures for electrostatics calculations
 pdb2pqr-doc - example files accompanying pdb2pqr
 propka     - Modify the protonation state of protein structures
Closes: 416269 420734
Changes: 
 pdb2pqr (1.7-1) unstable; urgency=low
 .
   * New upstream release. Closes: #416269, #420734.
Checksums-Sha1: 
 bb145d4c59b7c0df94fd36ce82183be181323dff 1506 pdb2pqr_1.7-1.dsc
 3d58c7324c445e4d4fe9d71c71a7169e14981b76 2048007 pdb2pqr_1.7.orig.tar.gz
 b2eecd68ad182f2878bdc3bb7503900a1d431cc8 9526 pdb2pqr_1.7-1.debian.tar.gz
 b4a8bcee97f03827a493fdc364af54302fdadec0 388250 pdb2pqr_1.7-1_amd64.deb
 8eb1677c33964f94d6c52d489db56a4864e129b3 536266 pdb2pqr-doc_1.7-1_all.deb
 c0acc87765f1991099ae2ade39901bc163bb3a33 48842 propka_1.7-1_amd64.deb
Checksums-Sha256: 
 a3459abe5993af8ef0c92a53488abeedd253fcef3c417254b3d0415826509c56 1506 pdb2pqr_1.7-1.dsc
 9cc5a2622085d7cb127c413d0b93dce18db937dcbe7831bd274cd7d5c041684c 2048007 pdb2pqr_1.7.orig.tar.gz
 ffc7cff8804d4d2d0a5f659ebf31e5c218c1f944f9bceff71c11ca82140157ca 9526 pdb2pqr_1.7-1.debian.tar.gz
 134c28891640818e0f69eceb06c03e316e5dc786f02cd0067cb9d96e2f345c62 388250 pdb2pqr_1.7-1_amd64.deb
 0ba8e724a56769a299f8d7c63daf201f88d1abe2cf236a6796914356da2325a3 536266 pdb2pqr-doc_1.7-1_all.deb
 b131dc0f79f094e7d20d34d937dfebd7f167855a675942eafe274ad794114f0a 48842 propka_1.7-1_amd64.deb
Files: 
 1d5cce062a276d5df8102982b69a1124 1506 science optional pdb2pqr_1.7-1.dsc
 4121120ff65473f45e4e4c278499299d 2048007 science optional pdb2pqr_1.7.orig.tar.gz
 69948e7cc65244de85f98746817f8ea8 9526 science optional pdb2pqr_1.7-1.debian.tar.gz
 90719c00b591998c91719b4152922653 388250 science optional pdb2pqr_1.7-1_amd64.deb
 5ac6d0ea8efaed273b9d73e1329428fd 536266 doc optional pdb2pqr-doc_1.7-1_all.deb
 7c569e18956c23444847b0f31b0f44ca 48842 science optional propka_1.7-1_amd64.deb

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--- End Message ---
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