This script adds fragments (from the Build Fragments tool panel) to each conformation of a molecule at the selected atoms. Each conformation is converted into a new molecule in the same document. The resulting document is saved to a user-specified dsv file. This script can be useful to study the differences in cavities between conformations of a molecule.

REQUIREMENTS: This script MUST be run from the DS client. A Molecule window containing molecule with conformations should be open.

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. For any questions or comments, please email ssalaniwal@accelrys.com