Setting up the tutorial project
Creating a new project
CcpNmr Analysis is a NMR project management software package. All the data that are loaded or created are stored in project files. Project files can be loaded or created. In the case of the tutorial we will initially create a new project from scratch. Follow the instructions in the command flowchart in the end of this page to create a new project with name: "NapD".
Defining the molecular structure
As all the NMR data have to be interpreted within the context of a molecular structure, the next step is to create a new molecule from a sequence of NapD in Analysis. Follow the commands in the flowchart in the end of this page and use:
Sequence file: "NapD.fasta"
Molecule name: "NapD"
Mol system code: "MS1"
Chain code: "A"
Analysis now shows the molecular information in the Molecule: Molecules popup:
If you are not familiar with this popup, feel free to navigate in it and play around. The project at this stage can always be reloaded from the saved project file NapD_1.
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Next: Loading the spectra
Command flowcharts
Creating a new project
M :Project: New
Enter project name (enter "NapD", click OK)
Defining the molecular structure
M: Molecule : Molecules
{Add Sequence}
[Read File] (select a file; OK)
[Tidy]
[Add Sequence!]
New Molecule Name (enter a name ; OK)
Mol System Code (enter a code; OK)
Chain Code (enter a code; O