CYANA Command: read tab: Difference between revisions
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== Description == | == Description == | ||
Reads nmrDraw peak files. The command is implemented to read (3-dimensional) nmrDraw tab files | Reads nmrDraw peak files assigned or unassigned. The command is implemented to read (3-dimensional) nmrDraw tab files. | ||
The first line of the tab file should read: | The first line of the tab file should read: | ||
'''REMARK Mode: Maximum Dimensions: 3''' | '''REMARK Mode: Maximum Dimensions: 3''' | ||
Using the command reads the file and stores the data in peak lists. | 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 | ||
For eNOEs, 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. | ||
Revision as of 12:25, 22 January 2019
Parameters
- file=filename.tab (required)
Description
Reads nmrDraw peak files assigned or unassigned. The command is implemented to read (3-dimensional) nmrDraw tab files.
The first line of the tab file should read: REMARK Mode: Maximum Dimensions: 3
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
For eNOEs, 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 conform to:
res.proton;res.proton;res.heavyatom
, i.e. : "16.H;22.HA;22.CA"