1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 | ||
Editor: damberger
Time: 2014/11/08 00:06:24 GMT+1 |
||
Note: |
changed: - 3. Project !ProteinA: Use the SequenceExplorer to determine the "maximum residue number":MaximumResidueNumber in the Sequence and the maximum SpinId in the SpinList. "Documentation, Reference material and Supporting Scripts":CALUA "!ShowNoesInMolmol.lua":ScriptsToExportFileToProgram 3. Project !ProteinA: Use the SequenceExplorer to determine the "maximum residue number":MaximumResidueNumber in the Sequence and the maximum SpinId in the SpinList.
Determining the structures of complexes or oligomers requires some additional procedures. Typically isotope-labeling of individual components helps to simplify the problem. The project is therefore divided into subprojects where only the resonance assignments of the isotope-labeled component are determined. Later the assignments of the individual components must be merged so that the NOEs between components can be analysed using experiments which use isotope-filtering and -editing to obtain only intermolecular NOEs.
CARA provides support for this analysis by allowing the definition of samples with different isotope-labeling patterns Moreover, SpinLinks? which represent NOEs? between spins can be defined to only appear in a subset of NOESY spectra. Via the SpinLink? visibility the subset of NOEs? visible in isotope-filtered/edited experiments can be represented. (See release notes for how to do this, further information is forthcoming on the wiki).
number by ChainId
c. Enter a number in the "Add offset to SpinId?" field that is larger than the maximum SpinId? determined in step 4 (e.g. 5000)
d. Select format CYANA.
e. Click OK (this writes out a sequence file starting at the ChainNr? of the first residue of protein B, and a chemical shift list .prot where each spin has an Id in the output file which is +5000 compared to the Id it has in Project B. We do this so that the sequence and chemical shift list can be merged with that of project A.