When working with restraint data you might want to try different sets of data. For this it might help to use the labeling mechanism. You can have multiple fully functional Setups for the same target that are differentiated via the Label.
You can create a labeled Setup directly from scratch just by adding the option -label my_label to the setup_target command. The preferred method, however, would be to generate the derived Setup from an existing basic Setup. That is from the default labelled rasrec_standard Setup from the previous chapter you can generate a Setup labelled rasrec_withRDC using
$ setup_target -target SgR145 -method rasrec -transfer_label standard -label withRDC -rdc SgR145.*.rdc Setup( SgR145 | rasrec_standard ) ============================================================ LOADED: Method options from existing setup 'rasrec_standard'... - -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- - Method: rasrec Choosen Options: cs nmr_data/SgR145.tab fasta fragments/SgR145.fasta frags fragments/SgR145.frags3.dat.gz fragments/SgR145.frags9.dat.gz ------------------------------------------------------------ Setup( SgR145 | rasrec_withRDC ) ============================================================ STORED: method options as new setup 'rasrec_withRDC'... - -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- -- - Method: rasrec Choosen Options: cs nmr_data/SgR145.tab fasta fragments/SgR145.fasta frags fragments/SgR145.frags3.dat.gz fragments/SgR145.frags9.dat.gz rdc nmr_data/SgR145.med1.rdc nmr_data/SgR145.med2.rdc ------------------------------------------------------------
Note, however, that restraint files with the same name will be shared between different Setups of the same target. A mechanism helps you to avoid overwriting existing files with new content but can be overridden by explicitly using the option -override at the command-line. The label names can be chosen freely, if omitted the label defaults to standard. Using the labels and transferring of Setups is explained in detail in the Manual: Automated Setup. For the reminder of this Tutorial we assume that all restraint files are added under the default label standard.