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Editor: damberger
Time: 2009/04/03 15:30:26 GMT+0 |
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changed: - Importing a template 0. "Get a template":TemplatesPage . 1. In CARA's main window, use *File > New from template ...* to import a template. 2. Now display the !ResidueTypes by clicking on the "ResidueTypes":ResidueType entry in the MainWindow. You should have a list of the !ResidueTypes you need for your work (amino acids, RNA nucleotides ...). You can right-click any residue and *Open Molecule Viewer* to see how the atoms fit together. You can also use MoleculeViewer modify or create !ResidueTypes. 3. You can expand a ResidueType to see the atoms contained in it and associated information like atom type, magnitude (the number of atoms a pseudo-atom is composed of) and reference chemical shifts. You can edit these via a right-click menu. 4. A Repository template generally also has a set of !SpectrumTypes which you can display by clicking on the "SpectrumTypes":CreateSpectrumTypes entry in the MainWindow. You can see the inferred Peaks generated by a specific !SpectrumType / ResidueType combination by selecting the !SpectrumType and then using the context menu *Show Experiment Path ...*. Select a !ResidueType to simulate the experiment. You will see the connectivities that CARA predicts for this residue in this experiment. If the experiment does not behave as expected, the "Experiment Procedure":CreateSpectrumType will need to be changed. 5. The template also has !SpinSystemTypes defined which can be examined by clicking the SpinSystemType entry in the MainWindow These are classes of !ResidueTypes which belong together. 6. You are now ready to either "create a new project":CreateNewProject either from scratch, "from a BMRB file":CreateNewProject, or import an existing "XEASY project":ImportAnXeasyProject. <HR> NEXT: "The Scope Tools":tools Return to GettingStarted Return to FrontPage
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