PURPOSE: Calculate the atom-atom distances between ligand atoms and nearby amino acid residues. Users can specify a cutoff distance for selecting nearby residues as well as a filter for specific residue types. All atom-atom distances which meet the criteria will be reported in a comma separate file called 'distances.csv'

USAGE: This protocol can be launched from both the Discovery Studio and Pipeline Pilot clients. To install in Discovery Studio only, go to the Protocol Explorer, right-click over the folder you want to add the protocol to, choose Import, navigate to the location of the Distances to Ligand Atoms.xml file and enter it as the File Name.

REQUIREMENTS: Discovery Studio Embedded Collection

KEYWORDS: distance, monitor, binding site residues, ligands

DISCLAIMER: This custom protocol is compatible with Discovery Studio 2.1 and Pipeline Pilot Server versions 6.1.6 and 7.0.1 (SES). 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. For any