Mercurial > repos > marcel > caddsuite_linux_x86_64
diff CADDSuite-1.6/README @ 17:25a03362403c draft
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author | marcel |
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date | Sat, 15 Dec 2012 13:10:41 -0500 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/CADDSuite-1.6/README Sat Dec 15 13:10:41 2012 -0500 @@ -0,0 +1,41 @@ +----------------------------------------------------------------------- + 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. + +