comparison CADDSuite-1.6/README @ 8:dbb480e39d95 draft

Uploaded
author marcel
date Sat, 15 Dec 2012 13:15:46 -0500
parents
children
comparison
equal deleted inserted replaced
7:bfab27640f5e 8:dbb480e39d95
1 -----------------------------------------------------------------------
2 CADDSuite - A flexible and open framework and workflow system
3 for computer-aided drug design
4 -----------------------------------------------------------------------
5
6 This package contains all tools belonging to CADDSuite.
7 For an overview over the contained tools, please see CADDSuite-description.txt.
8 After extraction the package, you can directly start the applications using the startup-scripts in the base-folder.
9
10 For more information about an individual tool, please call the tool without any parameters (or with '-help').
11
12
13
14 --------------------------------------------------------------------
15 Instructions for integration of CADDSuite into the workflow-system
16 Galaxy (http://getgalaxy.org)
17 --------------------------------------------------------------------
18
19
20 In order to install CADDSuite into your Galaxy installation, please to the following:
21
22 Let's assume $galaxybase is the base-folder of your Galaxy installation.
23 If you don't have a galaxy-installation yet, download a version from http://getgalaxy.org and follow the installation instructions shown there first.
24
25
26 -- 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.
27
28 After this, you need to copy a few files that you find in the galaxyconfig/ subfolder of this archive to the destinations specified below:
29
30 -- 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.
31
32 -- Copy molFiles.py, confFiles.py and countResidues.sh to $galaxybase/lib/galaxy/datatypes/
33
34 -- Add "#import molFiles, confFiles.py" to the beginning of the file $galaxybase/lib/galaxy/datatypes/registry.py
35
36
37
38 Last but not least, restart Galaxy.
39 All CADDSuite tools should now appear in your Galaxy webinterface.
40
41