PURPOSE: Processes ZDock poses, keeping only those poses in which a specified residue in the receptor protein is within a certain distance (\$distCriteria) of a specified residue in the ligand protein. The user can specify the distance criterium, the two residues and which atom within the residue is used to define the distance.

***Warning***, if you run this script on ZDockResults containing a large number of poses (i.e. 2000), it may take a while to complete.

INSTALLATION: Save FilterZDockPosesByDistance.pl to a local directory or location accessible from the Files Explorer

USAGE:
From the DS Client: From the Files Explorer, double-click on the FilterZDockPosesByDistance.pl to launch the script or right-click on the file and select Open With | Script Window then launch the
script using the Run command from the Scripting toolbar.

From a MS Windows command prompt: Type
"\bin\perl.bat" \
FilterZDockPosesByDistance.pl ZDockResults.dsv

From a Linux command prompt: Type
"\bin\perl.sh" \
FilterZDockPosesByDistance.pl ZDockResults.dsv

REQUIREMENTS: A Molecule window or input file containing ZDock poses. Edit lines #52-61

DISCLAIMER: This custom script is compatible with Discovery Studio 2.5. It is provided "as is" and is NOT supported by Accelrys nor is it warranted for any purpose whatsoever. The user assumes responsibility for any malfunctions or bugs.