Edit detail for ImportingTemplate revision 3 of 3
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Editor: damberger
Time: 2017/04/28 20:25:34 GMT+2
Note: minor edit 
changed:
-   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 acid residues, RNA nucleotides ...). You can right-click any residue and *Open Molecule Viewer* to see how the atoms fit together. You can also use MoleculeViewer to modify !ResidueTypes or create new ones. 
   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 acid residues, RNA nucleotides ...). You can right-click any residue and *Open Molecule Viewer* to see how the atoms are bonded to one another and to see their nomenclature. You can also use MoleculeViewer to modify !ResidueTypes or create new ones. 

changed:
-   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 right-clicking on 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.
   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 right-clicking on 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.

Importing a template

  1. Get a template .
  2. In CARA's main window, use File > New from template ... to import a template.
  3. Now display the ResidueTypes by clicking on the ResidueTypes entry in the MainWindow. You should have a list of the ResidueTypes you need for your work (amino acid residues, RNA nucleotides ...). You can right-click any residue and Open Molecule Viewer to see how the atoms are bonded to one another and to see their nomenclature. You can also use MoleculeViewer to modify ResidueTypes or create new ones.
  4. 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.
  5. A Repository template generally also has a set of SpectrumTypes which you can display by clicking on the SpectrumTypes entry in the MainWindow. You can see the inferred Peaks generated by a specific SpectrumType / ResidueType combination by right-clicking on 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 will need to be changed.
  6. 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.
  7. You are now ready to either create a new project either from scratch, from a BMRB file, or import an existing XEASY project.

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