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Editor: damberger
Time: 2010/11/03 16:36:16 GMT+1 |
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Note: added note regarding the bug in 1.8.4 (color codes ignored) and a link to FAQ regarding this issue. |
changed: - 2. **Code** an integer. This allows the color of the spinlink symbol in the SystemList to be set. Each color has a specified code. This can be useful to mark crosspeaks of signals requiring user attention. E.g. if the corresponding UPL was violated during a structure calculation the spinlink symbol could be color-coded pink. 2. **Code** an integer. This allows the color of the spinlink symbol in the SystemList to be set. Each color has a specified code. This can be useful to mark crosspeaks of signals requiring user attention. E.g. if the corresponding UPL was violated during a structure calculation the spinlink symbol could be color-coded pink. **NOTE:** This feature is not working in CARA 1.8.4 (fixed in 1.9.0 beta). See also "FAQ":FAQ#III15
A spinlink contains the SpinId? of the two linked spins and appears as follows in the spinbase of a project from the repository:
<pair lhs=40
rhs=1347
/>
Here lhs defines the SpinId? of the "left hand side" spin and rhs defines the SpinId? of the "right hand side" spin. Since NOEs indicate proximity of two spins but have no direction there is no particular meaning to "left" or "right".
The SpinLink will result in the appearance of a crosspeak in all NOESY spectra where the two spins can be correlated. I.e. CARA extrapolates the existence of the NOE in all relevant NOESY spectra.
E.g. If you picked a spinlink for the NOE "GLU23 HA-ASN24 HN", then this NOE will appear in the GLU23 HA/CA strip of the 3D 13C-aliphatic NOESY and the ASN24 HN/N strip of the 3D 15N NOESY.
A list of all SpinLinks from a project can be accessed from the Cara-explorer under Projects-SpinLinks
SpinLink = Project:linkSpins( Spin1, Spin2 )where Project is the selected project. Spin1 is the lhs spin and Spin2 is the rhs spin. The command returns a reference to the spinlink which can be used to manipulate the spinlink.
Project:unlinkSpins( Spin1, Spin2 )
Project:setLinkParams( SpinLink, Spectrum, Rating, Code, Visible )where Spectrum is the selected spectrum where the visibility is set, Visible has either the value true or false, Rating is a real number, and Code is an integer corresponding to the color code.