5.1 Overview
A common trade-off faced by program and tool developers is providing the convenience of a Graphical User Interface with the raw power and scalability of command line oriented functionality. Similarly, flexibility of tool use and data manipulation is sacrificed for informative visual displays and interactivity. Golden Helix Inc. has developed a unique solution to not only take advantage of the best of these two paradigms but also open the way for cross-communication between other tools used in data analysis. By providing full access to ChemTree’s features through the powerful Python scripting language, ChemTree provides functionality and support for collaboratively developing new analysis techniques.
Key features of this tool are:
- A Python shell window where users can develop new techniques while running ChemTree in GUI mode.
- Integration with other analysis packages from within ChemTree allows you to make script calls to ChemTree, and other packages all within the Python programming environment.
- By using Python as ChemTree’s scripting language your scripts have access to use the more powerful constructs of a complete programming language.
- New analysis techniques can be dynamically added to your private scripts menu or they can published to a script server for others to use.
- GUI dialogs to collect important parameters can be dynamically created as part of a script.
- The ability to add data and results from many tools to the project navigator window.
- You can run scripts from the command line without starting ChemTree by executing ChemTree with the -s <script name>.py option.