Importing a Sparky Project
Analysis V3 contains a simple Sparky importer (which should also work for Poky projects). Since Sparky projects don’t always follow a completely standard setup, we cannot guarantee that your project will be imported fully, but hopefully most of your data will be transferred into CcpNmr AnalysisAssign V3 correctly. Do get in touch with us via the forum or support@ccpn.ac.uk if you encounter any problems and hopefully we will be able to help you with any issues.
You can import a Sparky project by dragging & dropping a Sparky .proj file onto the sidebar or drop area. You can also drag & drop one or more Sparky .save files into Analysis.
Changing amino acid types from 1-letter to 3-letter code
Amino acid types in Sparky projects are often given in one-letter code. Analysis, by contrast, uses uppercase three-letter code (IUPAC and NEF convention). In order for Analysis to recognise your assignment correctly, your assignments must specify the amino acid types in three-letter code. We have included a simple macro which will allow you to convert your amino acid types from one- to three-letter code. To run the macro, go to Macro / CCPN Macros and select ConvertNmrResiduesOneToThreeLetterCode. Any NmrResidues with amino acid types in 1-letter code will be converted to 3-letter code. Please note that this macro runs fairly slowly – the terminal output will show your progress.
Moving peak assignments into a single NmrChain
Depending on the setup of your Sparky project you may find that you have lots of different NmrChains in your Analysis project – one for each spectrum and one for the resonance list. You will encounter the same situation if you have imported several .save files. You can move all your NmrResidues into a single NmrChain using a macro provided by CCPN. Go to Macro / CCPN Macros and select MovePeakAssignmentsToMoleculeChain to run it. All your NmrChains will be merged into a single NmrChain called molecule which you can then rename by double-clicking on it in the sidebar.
