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Editor: damberger
Time: 2016/09/18 21:10:57 GMT+2 |
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Note: |
changed: - * **DYANA/CYANA/CANDID**: Generate XEASY-output of sequence, atomlist(s) and peaklist(s). ATNOS/CANDID requires sequence,atomlists and NOESY spectra. Don't forget to export the calibrations to the NOESY spectra: Select each NOESY spectrum in the CARA Explorer and right-click "write calibration". This will modify the param file. There are a number of <a href="AllCaluaScripts#MarkScriptsToExportFileForAProgram">scripts"</a> to support the export of data for structure calculation. The most important is *!WriteAssignments.lua* which allows you to write out shifts and sequence in residue library formats appropriate for structure calculation with DYANA or CYANA. It can also write out in BMRB format for deposition of chemical shifts or to CARA format which simplifies the transfer of assignments between projects. There are also pages specifically devoted to "structure calculation":StructureCalculation. * **DYANA/CYANA/CANDID**: Generate XEASY-output of sequence, atomlist(s) and peaklist(s). ATNOS/CANDID requires sequence,atomlists and NOESY spectra. Don't forget to export the calibrations to the NOESY spectra: Select each NOESY spectrum in the CARA Explorer and right-click "write calibration". This will modify the param file. There are a number of <a href="AllCaluaScripts#MarkScriptsToExportFileForAProgram">scripts</a> to support the export of data for structure calculation. The most important is *!WriteAssignments.lua* which allows you to write out shifts and sequence in residue library formats appropriate for structure calculation with DYANA or CYANA. It can also write out in BMRB format for deposition of chemical shifts or to CARA format which simplifies the transfer of assignments between projects. There are also pages specifically devoted to "structure calculation":StructureCalculation.
For currently available LUA scripts for input to other programs, go here.