[Debichem-commits] r3548 - /PROSPECTIVE_PACKAGES

[mbanck at users.alioth.debian.org]

Author: mbanck
Date: Wed Apr 25 14:56:09 2012
New Revision: 3548

URL: http://svn.debian.org/wsvn/debichem/?sc=1&rev=3548
Log:
Added JGromcas and DockoMatic

Modified:
    PROSPECTIVE_PACKAGES

Modified: PROSPECTIVE_PACKAGES
URL: http://svn.debian.org/wsvn/debichem/PROSPECTIVE_PACKAGES?rev=3548&op=diff
==============================================================================
--- PROSPECTIVE_PACKAGES (original)
+++ PROSPECTIVE_PACKAGES Wed Apr 25 14:56:09 2012
@@ -209,3 +209,28 @@
  * Multicanonical simulations: Used in conjunction with replica exchange
    techniques, multicanonical simulations greatly enhance the sampling of phase
    space, helping find the true native state of the polymer.
+
+* JGromacs
+** http://sbcb.bioch.ox.ac.uk/jgromacs/
+** http://pubs.acs.org/doi/abs/10.1021/ci200289s
+** GPLv3
+
+JGromacs is a Java library designed to facilitate the development of
+cross-platform analysis applications for Molecular Dynamics (MD) simulations.
+The package contains parsers for file formats applied by GROMACS (GROningen
+MAchine for Chemical Simulations), one of the most widely used MD simulation
+packages. JGromacs provides a multilevel object-oriented representation of
+simulation data to integrate and interconvert sequence, structure and dynamics
+information. In addititon, a basic analysis toolkit is included in the package.
+The programmer is also provided with simple tools (e.g. XML-based
+configuration) to create applications with a user interface resembling the
+command-line UI of Gromacs applications.
+
+* DockoMatic
+** http://sourceforge.net/projects/dockomatic/
+** http://onlinelibrary.wiley.com/doi/10.1002/jcc.21864/abstract
+** LGPLv3+
+
+DockoMatic is a GUI application that is intended to ease and automate the
+creation and management of AutoDock jobs for high throughput screening of
+ligand/receptor interactions.