[Blends-commit] r2378 - projects/med/trunk/debian-med/tasks

[Debian Pure Blends Subversion Commit]

Author: tille
Date: Thu Sep 30 06:33:04 2010
New Revision: 2378
URL: http://svn.debian.org/viewsvn/blends?rev=2378&view=rev

Log:
Added pdb2pqr


Modified:
   projects/med/trunk/debian-med/tasks/bio
   projects/med/trunk/debian-med/tasks/imaging

Modified: projects/med/trunk/debian-med/tasks/bio
URL: http://svn.debian.org/viewsvn/blends/projects/med/trunk/debian-med/tasks/bio?rev=2378&view=diff&r1=2378&r2=2377&p1=projects/med/trunk/debian-med/tasks/bio&p2=projects/med/trunk/debian-med/tasks/bio
==============================================================================
--- projects/med/trunk/debian-med/tasks/bio	(original)
+++ projects/med/trunk/debian-med/tasks/bio	Thu Sep 30 06:33:04 2010
@@ -3002,6 +3002,23 @@
  is the GeneOntology.
 
 Suggests: pdb2pqr
+Homepage: http://pdb2pqr.sourceforge.net/
+License: GPL
+WNPP: 416269
+Language: Python, C
+Responsible: Manuel Prinz <debian at pinguinkiste.de>
+Pkg-Description: Converts Protein Data Bank (PDB) files to PQR
+ "PDB2PQR is a Python software package that automates many of the
+ common tasks of preparing structures for continuum electrostatics
+ calculations. This includes adding a limited number of missing
+ heavy atoms to biomolecular structures, optimizing the protein
+ for favorable hydrogen bonding, determining side-chain pKas, and
+ assigning charge and radius parameters from a variety of force
+ fields, ultimately yielding a final PQR file."
+ .
+ PDB2PQR is a tool often used in conjunction with APBS, which is in
+ Debian already. I have had good contact with both upstream authors
+ in the past.
 
 Depends: lagan
 Homepage: http://lagan.stanford.edu/lagan_web/index.shtml

Modified: projects/med/trunk/debian-med/tasks/imaging
URL: http://svn.debian.org/viewsvn/blends/projects/med/trunk/debian-med/tasks/imaging?rev=2378&view=diff&r1=2378&r2=2377&p1=projects/med/trunk/debian-med/tasks/imaging&p2=projects/med/trunk/debian-med/tasks/imaging
==============================================================================
--- projects/med/trunk/debian-med/tasks/imaging	(original)
+++ projects/med/trunk/debian-med/tasks/imaging	Thu Sep 30 06:33:04 2010
@@ -835,6 +835,7 @@
 Published-DOI: 10.1002/mrm.22406
 
 Depends: insightapplications
+Homepage: http://itk.org/ITK/resources/applications.html
 License: BSD
 WNPP: 598556
 Responsible: Steve M. Robbins <smr at debian.org>