Name: Align All Z Atachments to Core R Groups

Author: Andrei Caracoti

Version: 1.0

Created: 08/2007

Purpose: This protocol works by generating a set of Ri-A substructures, mapping them to the core, deleting all the other atoms and converting Ri to A and A to Zi, so that the direction of the R-A bond in the core can be used to orient the Z-A bond in the fragments. That way, all fragment Z atoms point in the same directions, along the corresponding R-A bond in the core.

Requirements: PP Server 6.1.1, Chemistry

O/S: Windows and Linux

Limitations: N/A

Keyword: core attachments

Contents: Align all Z attachments to core R groups.xml - protocol

Instructions:
Import the protocol into the Pipeline Pilot client and run.