Python Macros
A list of Python scripts that add extra functionality to CcpNmr Anlaysis
Shift Differences to B-factor macro
Python macro for CcpNmr Analysis to set the B-factor attributes of a PDB format structure to shift differences.
Assign Closest Metabolite Peak
Example Python script to automatically assign a query peak list, representing a sample with a mixture of metabolites, using reference metabolite assignments from the CCPN Metabolomics Project.
Synthetic TOCSY Macro
A Python macro script for CcpNmr Analysis to generate synthetic HH TOCSY peak lists given 13CHSQC assignments
Simple HSQC +2xIPAP peak assign macro v2
Adapted from Graham Ball's ipap-ass.py file to work with the latest v2 Analysis
Export XPLOR distance restraints
Export a CCPN distance restraint list as an XPLOR file
Renumber chain sequence
Renumber the seqCodes in a chain optionally allowing 0 to be skipped
Joren Retel macros
Macros written by Joren Retel, available on his GitHub page