[med-svn] r2048 - trunk/packages/pdb2pqr/trunk/debian

[hauro-guest at alioth.debian.org]

Author: hauro-guest
Date: 2008-06-12 12:16:44 +0000 (Thu, 12 Jun 2008)
New Revision: 2048

Added:
   trunk/packages/pdb2pqr/trunk/debian/propka.dirs
   trunk/packages/pdb2pqr/trunk/debian/propka.install
Modified:
   trunk/packages/pdb2pqr/trunk/debian/changelog
   trunk/packages/pdb2pqr/trunk/debian/control
   trunk/packages/pdb2pqr/trunk/debian/pdb2pqr.install
Log:
Added binary package for propka


Modified: trunk/packages/pdb2pqr/trunk/debian/changelog
===================================================================
--- trunk/packages/pdb2pqr/trunk/debian/changelog	2008-06-12 11:59:47 UTC (rev 2047)
+++ trunk/packages/pdb2pqr/trunk/debian/changelog	2008-06-12 12:16:44 UTC (rev 2048)
@@ -8,8 +8,9 @@
   [ Manuel Prinz ]
   * Updated Standards-Version to 3.8.0
   * Wrote man page for pdb2pqr(1)
+  * Added binary package for propka (Closes: #420734)
 
- -- Manuel Prinz <debian at pinguinkiste.de>  Thu, 12 Jun 2008 13:57:05 +0200
+ -- Manuel Prinz <debian at pinguinkiste.de>  Thu, 12 Jun 2008 13:59:53 +0200
 
 pdb2pqr (1.3.0-1) experimental; urgency=low
 

Modified: trunk/packages/pdb2pqr/trunk/debian/control
===================================================================
--- trunk/packages/pdb2pqr/trunk/debian/control	2008-06-12 11:59:47 UTC (rev 2047)
+++ trunk/packages/pdb2pqr/trunk/debian/control	2008-06-12 12:16:44 UTC (rev 2048)
@@ -54,3 +54,17 @@
  Files containing protein structures tend to become large very quickly and
  most users of this package will refrain from their installation, particularly
  on larger clusters.
+
+Package: propka
+Architecture: any
+Depends: ${shlibs:Depends}
+Description: Modify 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

Modified: trunk/packages/pdb2pqr/trunk/debian/pdb2pqr.install
===================================================================
--- trunk/packages/pdb2pqr/trunk/debian/pdb2pqr.install	2008-06-12 11:59:47 UTC (rev 2047)
+++ trunk/packages/pdb2pqr/trunk/debian/pdb2pqr.install	2008-06-12 12:16:44 UTC (rev 2048)
@@ -6,4 +6,3 @@
 pdb2pka/ligandclean/*.py	usr/share/pdb2pqr/pdb2pka/ligandclean
 pdb2pka/substruct/*.py		usr/share/pdb2pqr/pdb2pka/substruct
 propka/*.py			usr/share/pdb2pqr/propka
-propka/propka			usr/bin

Added: trunk/packages/pdb2pqr/trunk/debian/propka.dirs
===================================================================
--- trunk/packages/pdb2pqr/trunk/debian/propka.dirs	                        (rev 0)
+++ trunk/packages/pdb2pqr/trunk/debian/propka.dirs	2008-06-12 12:16:44 UTC (rev 2048)
@@ -0,0 +1 @@
+/usr/bin

Added: trunk/packages/pdb2pqr/trunk/debian/propka.install
===================================================================
--- trunk/packages/pdb2pqr/trunk/debian/propka.install	                        (rev 0)
+++ trunk/packages/pdb2pqr/trunk/debian/propka.install	2008-06-12 12:16:44 UTC (rev 2048)
@@ -0,0 +1 @@
+propka/propka			usr/bin