CYANA Command: read tab: Difference between revisions
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== Description == | == Description == | ||
Reads nmrDraw peak files assigned or unassigned. | Reads nmrDraw peak files assigned or unassigned. | ||
Using the command reads the file and stores the data in peak lists. The write peaks command is used to write the peaks to file, see * [[CYANA Command: write peaks|write peaks]] | Using the command reads the file and stores the data in peak lists. The write peaks command is used to write the peaks to file, see * [[CYANA Command: write peaks|write peaks]] | ||
For | For eNOE calculations, the nmrDraw tab file needs to have been fully assigned, cleaned of noise and artifacts and fitted to the NOESY series. | ||
During the assignment process, one assigns the longest mixing time and then fits the relative intensities of the other mixing times in descending order. | During the assignment process, one assigns the longest mixing time and then fits the relative intensities of the other mixing times in descending order. | ||
Therefore, the relative intensity variables A0, … , AN for N+1 mixing times are multiplied by the field "HEIGHT" and stored in memory in ascending order. | Therefore, the relative intensity variables A0, … , AN for N+1 mixing times are multiplied by the field "HEIGHT" and stored in memory in ascending order. | ||
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res.proton;res.proton;res.heavyatom | res.proton;res.proton;res.heavyatom | ||
e.g. for 2D : "16.H;22.HA" | |||
e.g. for 3D : "16.H;22.HA;22.CA" | |||
Latest revision as of 13:01, 28 January 2019
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Parameters
- file=filename.tab (required)
Description
Reads nmrDraw peak files assigned or unassigned.
Using the command reads the file and stores the data in peak lists. The write peaks command is used to write the peaks to file, see * write peaks
For eNOE calculations, the nmrDraw tab file needs to have been fully assigned, cleaned of noise and artifacts and fitted to the NOESY series. During the assignment process, one assigns the longest mixing time and then fits the relative intensities of the other mixing times in descending order. Therefore, the relative intensity variables A0, … , AN for N+1 mixing times are multiplied by the field "HEIGHT" and stored in memory in ascending order.
The assignment (field "ASS") in the nmrDraw tab file needs to follow the CYANA standard and further conform to:
res.proton;res.proton;res.heavyatom
e.g. for 2D : "16.H;22.HA"
e.g. for 3D : "16.H;22.HA;22.CA"