[med-svn] r7239 - in trunk/packages/mgltools: cadd/trunk/debian webservices/trunk/debian

Sun Jul 10 22:30:45 UTC 2011

Author: moeller
Date: 2011-07-10 22:30:45 +0000 (Sun, 10 Jul 2011)
New Revision: 7239

Modified:
   trunk/packages/mgltools/cadd/trunk/debian/changelog
   trunk/packages/mgltools/cadd/trunk/debian/control
   trunk/packages/mgltools/webservices/trunk/debian/changelog
   trunk/packages/mgltools/webservices/trunk/debian/control
Log:
Pending uploads.


Modified: trunk/packages/mgltools/cadd/trunk/debian/changelog
===================================================================

--- trunk/packages/mgltools/cadd/trunk/debian/changelog	2011-07-10 16:06:33 UTC (rev 7238)
+++ trunk/packages/mgltools/cadd/trunk/debian/changelog	2011-07-10 22:30:45 UTC (rev 7239)
@@ -1,5 +1,13 @@
-mgltools-cadd (1.5.6~rc1+cvs.20110630-1) UNRELEASED; urgency=low
+mgltools-cadd (1.5.6~rc1+cvs.20110703-1) unstable; urgency=low
 
+  * New upstream release.
+
+ -- Steffen Moeller <moeller at debian.org>  Mon, 11 Jul 2011 00:12:53 +0200
+
+mgltools-cadd (1.5.6~rc1+cvs.20110617-1) unstable; urgency=low
+
   * Initial release, contributes to closing ITP #458811.
 
- -- Steffen Moeller <moeller at debian.org>  Fri, 17 Jun 2011 01:20:33 +0200
+    Upstream had created that new module only recently.
+
+ -- Thorsten Alteholz <debian at alteholz.de>  Sun, 03 Jul 2011 02:20:15 +0200

Modified: trunk/packages/mgltools/cadd/trunk/debian/control
===================================================================
--- trunk/packages/mgltools/cadd/trunk/debian/control	2011-07-10 16:06:33 UTC (rev 7238)
+++ trunk/packages/mgltools/cadd/trunk/debian/control	2011-07-10 22:30:45 UTC (rev 7239)
@@ -23,33 +23,34 @@
  provide an infrastructure for the analysis of protein structures and
  their docking of chemical compounds.
  .
- The Computer Aided Drug Discovery (CADD) Pipeline is a workflow environment 
- designed to support molecular dyanmics simulations and virtual screening 
- experiments for in silico drug discovery, with a special focus on supporting 
- the use of the Relaxed Complex Scheme. It includes web based access to 
- applications such as NAMD, AutoDock, PDB2PQR, APBS, MGLToos and couples them 
- in a flexible and scalable fashion through cloud computing. 
- It is developed as a standalone application, using Vision 
- (https://www.nbcr.net/pub/wiki/index.php?title=MGLTools#Vision)  
- as the backend engine for visual programming and workflow execution. 
- The scientific applications are made accessible through CADD using Opal Web 
- services (https://www.nbcr.net/pub/wiki/index.php?title=Opal) for scalable 
- and distributed computation.
+ The Computer Aided Drug Discovery (CADD) Pipeline is a workflow
+ environment designed to support molecular dyanmics simulations
+ and virtual screening experiments for in silico drug discovery,
+ with a special focus on supporting the use of the Relaxed
+ Complex Scheme. It includes web based access to applications
+ such as NAMD, AutoDock, PDB2PQR, APBS, MGLToos and couples them
+ in a flexible and scalable fashion through cloud computing.
+ It is developed as a standalone application, using Vision
+ (https://www.nbcr.net/pub/wiki/index.php?title=MGLTools#Vision) as
+ the backend engine for visual programming and workflow execution.
+ The scientific applications are made accessible through CADD using
+ Opal Web services (https://www.nbcr.net/pub/wiki/index.php?title=Opal)
+ for scalable and distributed computation.
  .
- The workflow components of the CADD pipeline are currently released as Vision 
- networks packaged for specific processes in a modular fashion. These modules 
- may be coupled at ease for more complex processes. In the future, they may 
- also be accessible from workflow repositories such as MyExperiment.org, and 
- from AutoDockTools. 
- The Opal services used in the CADD workflow may be accessed using programmatic
- access, the Opal Server Dashboard or other workflow clients such as Kepler, 
- VisTrails or Taverna through Opal plugins available at Opal Sourceforge website 
- (http://opal.nbcr.net).
+ The workflow components of the CADD pipeline are currently released
+ as Vision networks packaged for specific processes in a modular
+ fashion. These modules may be coupled at ease for more complex
+ processes. In the future, they may also be accessible from workflow
+ repositories such as MyExperiment.org, and from AutoDockTools.  The Opal
+ services used in the CADD workflow may be accessed using programmatic
+ access, the Opal Server Dashboard or other workflow clients such as
+ Kepler, VisTrails or Taverna through Opal plugins available at Opal
+ Sourceforge website (http://opal.nbcr.net).
  .
  Features
  .
-  * Automatic launching of NAMD simulation on TeraGrid and NBCR resources, 
-    including experimental support for migration of simulation between 
+  * Automatic launching of NAMD simulation on TeraGrid and NBCR resources,
+    including experimental support for migration of simulation between
     resources.
   * Selection of representative snapshots/conformations from MD simulations 
     using clustering tools such as QR factorization from VMD and Ptraj from 

Modified: trunk/packages/mgltools/webservices/trunk/debian/changelog
===================================================================
--- trunk/packages/mgltools/webservices/trunk/debian/changelog	2011-07-10 16:06:33 UTC (rev 7238)
+++ trunk/packages/mgltools/webservices/trunk/debian/changelog	2011-07-10 22:30:45 UTC (rev 7239)
@@ -1,5 +1,5 @@
-mgltools-webservices (1.5.6~rc1+cvs.20110630-1) UNRELEASED; urgency=low
+mgltools-webservices (1.5.6~rc1+cvs.20110703-1) unstable; urgency=low
 
   * Initial release, contributes to closing ITP #458811.
 
- -- Steffen Moeller <moeller at debian.org>  Fri, 17 Jun 2011 01:20:33 +0200
+ -- Thorsten Alteholz <debian at alteholz.de>  Fri, 17 Jun 2011 01:20:33 +0200

Modified: trunk/packages/mgltools/webservices/trunk/debian/control
===================================================================
--- trunk/packages/mgltools/webservices/trunk/debian/control	2011-07-10 16:06:33 UTC (rev 7238)
+++ trunk/packages/mgltools/webservices/trunk/debian/control	2011-07-10 22:30:45 UTC (rev 7239)
@@ -18,9 +18,11 @@
 XB-Python-Version: ${python:Versions}
 Architecture: all
 Depends: ${shlibs:Depends}, ${misc:Depends}, ${python:Depends}
-Description: XXX
+Description: webservices for components of autodocktools
  This package is part of the mgltools set of Python libraries which
  provide an infrastructure for the analysis of protein structures and
  their docking of chemical compounds.
  .
- XXX
+ The web services provide the means for inter-process communication
+ of different parts of the autodocktools. It is used especially
+ for the control of workflows addressing in silico screening.


