Python API Course

Short pieces of demonstration code to illustrate how to do various things with version 2 of the Python API

• Top-Level Projects

• How to create, load and save the top-level MemopsRoot object that contains all project data

• Molecular Description

• How to create and manipulate the objects involved with molecular systems, sequences and chemical compound templates

• NMR Experiments and Spectra

• A guide to using describing experiments and spectra within the NMR part of the data model

• Peaks & Peak Lists

• How to work with peaks and the list they are contained within

• Resonance Assignment

• How to assign peaks to atoms via the resonance objects and how this relates to chemical shifts

• Structures & Ensembles

• How to work with objects that represent coordinate information for macromolecular structures

• NMR Restraints

• A guide to working with the various type of structural restraints used in NMR

• CcpNmr Analysis Windows

• A guide to working with Analysis windows, where spectra are displayed.

• CcpNmr Analysis Macros

• Programming guide to writing Python macro scripts for CcpNmr Analysis

• CCPN Tkinter Graphical Objects

• Programming guide on how to use the CCPN GUI widget set.

• How to write a macro

• Simple macro writing guide on the CCPN Biomolecular NMR Wiki

• Explanatory Diagrams

• Simplified data model diagrams for teaching purposes

• Example CCPN Graphical Interface

• An example graphical interface that links to the CCPN data model