[Blends-commit] r2878 - in /projects/med/trunk/debian-med/tasks: bio pharmacy

[tille at users.alioth.debian.org]

Author: tille
Date: Tue Jul  5 06:35:51 2011
New Revision: 2878

URL: http://svn.debian.org/wsvn/blends/?sc=1&rev=2878
Log:
Added raccoon to bio and pharmacy

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

Modified: projects/med/trunk/debian-med/tasks/bio
URL: http://svn.debian.org/wsvn/blends/projects/med/trunk/debian-med/tasks/bio?rev=2878&op=diff
==============================================================================
--- projects/med/trunk/debian-med/tasks/bio (original)
+++ projects/med/trunk/debian-med/tasks/bio Tue Jul  5 06:35:51 2011
@@ -3791,6 +3791,31 @@
  visualizes data in a circular layout -- this makes Circos ideal for
  exploring relationships between objects or positions.
 
+Depends: raccoon
+Homepage: http://autodock.scripps.edu/resources/raccoon
+WNPP: 630977
+License: GPL-3.0+
+Pkg-Description: preparation of in silico drug screening projects
+ The field of computational biology is all about modeling
+ physiochemical entities. Structural biology is about how
+ those entities look in 3D and behave. And we have a drug
+ when we can change that behaviour in a way that we want it
+ to be changed - and only that behaviour.
+ .
+ Some good part of the characterisation of promising
+ drug-like compounds for their interaction with a larger protein
+ can be done on computers. This package helps with getting
+ collections of small ligands prepared to be fitted against
+ a particular protein of known structure. That docking itself
+ is then to be performed by autodock or autodock-vina.
+ .
+ Raccoon may not find the drug, but it may well find a
+ lead to it. To have this package with Debian shall help
+ smaller biochemistry labs and grants an opportunity for the
+ general public to educate itself and/or actively join in to
+ help the world .... just a bit.
+
+
 Comment: Several related R packages are listed at CRAN:
          http://cran.r-project.org/web/views/Genetics.html
 Comment: There is a Gentoo page featuring some projects we do not have mentioned here:

Modified: projects/med/trunk/debian-med/tasks/pharmacy
URL: http://svn.debian.org/wsvn/blends/projects/med/trunk/debian-med/tasks/pharmacy?rev=2878&op=diff
==============================================================================
--- projects/med/trunk/debian-med/tasks/pharmacy (original)
+++ projects/med/trunk/debian-med/tasks/pharmacy Tue Jul  5 06:35:51 2011
@@ -6,6 +6,8 @@
 
 Depends: chemtool
 
+Depends: raccoon
+
 Comment: Several related R packages are listed at CRAN:
          http://cran.r-project.org/web/views/Pharmacokinetics.html
          Specifically these might be of interest: