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Editor: damberger
Time: 2016/09/16 16:01:30 GMT+2 |
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Note: |
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 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. 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. 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 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. 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.
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