Permalink
Switch branches/tags
Nothing to show
Find file Copy path
Fetching contributors…
Cannot retrieve contributors at this time
42 lines (22 sloc) 2.07 KB
-----------------------------------------------------------------------
CADDSuite - A flexible and open framework and workflow system
for computer-aided drug design
-----------------------------------------------------------------------
This package contains all tools belonging to CADDSuite.
For an overview over the contained tools, please see CADDSuite-description.txt.
After extraction the package, you can directly start the applications using the startup-scripts in the base-folder.
For more information about an individual tool, please call the tool without any parameters (or with '-help').
--------------------------------------------------------------------
Instructions for integration of CADDSuite into the workflow-system
Galaxy (http://getgalaxy.org)
--------------------------------------------------------------------
In order to install CADDSuite into your Galaxy installation, please to the following:
Let's assume $galaxybase is the base-folder of your Galaxy installation.
If you don't have a galaxy-installation yet, download a version from http://getgalaxy.org and follow the installation instructions shown there first.
-- Extract the CADDSuite archive into a new folder $galaxybase/tools/CADDSuite, or extract it somewhere else and create a link named $galaxybase/tools/CADDSuite that points to this destination.
After this, you need to copy a few files that you find in the galaxyconfig/ subfolder of this archive to the destinations specified below:
-- Copy tool_conf.xml and datatypes_conf.xml to $galaxybase if you want to setup your Galaxy instance for exclusive use of CADDSuite, or copy the contents of those files into the files already existing in $galaxybase if you want to keep using tools that came along with the Galaxy installation.
-- Copy molFiles.py, confFiles.py and countResidues.sh to $galaxybase/lib/galaxy/datatypes/
-- Add "#import molFiles, confFiles.py" to the beginning of the file $galaxybase/lib/galaxy/datatypes/registry.py
Last but not least, restart Galaxy.
All CADDSuite tools should now appear in your Galaxy webinterface.