[med-svn] r10884 - trunk/packages/pdb2pqr/trunk/debian

[Andreas Tille]

Author: tille
Date: 2012-05-16 07:36:29 +0000 (Wed, 16 May 2012)
New Revision: 10884

Added:
   trunk/packages/pdb2pqr/trunk/debian/upstream
Modified:
   trunk/packages/pdb2pqr/trunk/debian/changelog
Log:
There is a new upstream version; Added citation of the day


Modified: trunk/packages/pdb2pqr/trunk/debian/changelog
===================================================================
--- trunk/packages/pdb2pqr/trunk/debian/changelog	2012-05-16 07:14:41 UTC (rev 10883)
+++ trunk/packages/pdb2pqr/trunk/debian/changelog	2012-05-16 07:36:29 UTC (rev 10884)
@@ -1,3 +1,10 @@
+pdb2pqr (1.8-1) UNRELEASED; urgency=low
+
+  * New upstream version
+  * debian/upstream: Add publication information
+
+ -- Andreas Tille <tille at debian.org>  Wed, 16 May 2012 09:32:56 +0200
+
 pdb2pqr (1.7-2) unstable; urgency=low
 
   * Pass -fPIC to compiler on all architectures. Closes: 636204. LP: 791313.

Added: trunk/packages/pdb2pqr/trunk/debian/upstream
===================================================================
--- trunk/packages/pdb2pqr/trunk/debian/upstream	                        (rev 0)
+++ trunk/packages/pdb2pqr/trunk/debian/upstream	2012-05-16 07:36:29 UTC (rev 10884)
@@ -0,0 +1,33 @@
+Reference:
+ - Author: Todd J Dolinsky and Paul Czodrowski and Hui Li and Jens E Nielsen and Jan H Jensen and Gerhard Klebe and Nathan A Baker
+   Title: "PDB2PQR: Expanding and upgrading automated preparation of biomolecular structures for molecular simulations"
+   Journal: Nucleic Acids Research
+   Year: 2007
+   Volume: 35
+   Pages: W522-5
+   DOI: 10.1093/nar/gkm276 
+   PMID: 17488841
+   URL: http://nar.oxfordjournals.org/content/35/suppl_2/W522
+   eprint: http://nar.oxfordjournals.org/content/35/suppl_2/W522.full.pdf+html
+ - Author: Todd J Dolinsky and Jens E Nielsen and J Andrew McCammon and Nathan A Baker
+   Title: "PDB2PQR: an automated pipeline for the setup, execution, and analysis of Poisson-Boltzmann electrostatics calculations"
+   Journal: Nucleic Acids Research
+   Year: 2004
+   Volume: 32
+   Pages: W665-W667
+   DOI: 10.1093/nar/gkh381
+   PMID: 15215472
+   URL: http://nar.oxfordjournals.org/content/32/suppl_2/W665.abstract
+   eprint: http://nar.oxfordjournals.org/content/32/suppl_2/W665.full.pdf+html
+ - Debian-Package: propka
+   Author: Hui Li and Andrew D Robertson and Jan H Jensen
+   Title: Very fast empirical prediction and rationalization of protein pKa values
+   Journal: Proteins
+   Year: 2005
+   Volume: 61
+   Number: 4
+   Pages: 704-21
+   DOI: 10.1002/prot.20660
+   PMID: 16231289
+   URL: http://onlinelibrary.wiley.com/doi/10.1002/prot.20660/abstract
+   eprint: http://onlinelibrary.wiley.com/doi/10.1002/prot.20660/pdf