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File Date Author Commit
example_commandline 2013-09-20 jdurrant [r2] Initial commit2
README 2013-09-20 jdurrant [r2] Initial commit2
Wisp.tcl 2013-09-20 jdurrant [r2] Initial commit2
pkgIndex.tcl 2013-09-20 jdurrant [r2] Initial commit2
test.pdb 2013-09-20 jdurrant [r2] Initial commit2
wisp.py 2013-09-20 jdurrant [r2] Initial commit2

Read Me

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HOW TO USE THE WISP TOOL (8/15/13):

WISP is a trajectory analysis tool that calculates and visualizes allosteric pathways.

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HOW TO INSTALL WISP (UNIX BASED OS: LINUX/MAC):
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1. Unzip the file to a directory of your choice using this command:

tar -xzf wisp.tgz <your directory here>

2. To use the VMD plugin, add these two lines of code to your .vmdrc file (usually located in your ~/ directory)

set auto_path "$auto_path <your directory here>"  ; #(NOTE: this may require the full pathname)
vmd_install_extension wisp wisp_tk_cb "Analysis/Wisp"

3. Now open VMD

Click Extensions > Analysis > WISP

4. To use the command line, see the example in the ./example_commandline/ directory.

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HOW TO USE WISP:
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More to come...