Name: Align Molecules to Cartesian

Author: Christian Herhaus

Version: 1.0

Created: 3/2008

Purpose: Aligns molecule structures to an orthogonal orientation. The molecule is rotated until it reaches an orthogonal position:
- Horizontal: The molecule "lies flat"
- Vertical: The molecule "stands upright"
- Compact: The molecule covers an area close to square

Requirements: Pipeline Pilot 6.0 or later, Chemistry Collection

O/S: Windows and Linux

Limitations: none known

Keyword: align molecule structure orientation orthogonal

Contents: Align Molecule to Cartesian.zip

Installation:

1. Unzip the archive.
2. Import the component into your user tab in the Pipeline Pilot client.
3. Plug the component into any protocol reading a molecule stream.