Scripts of the NMRPipe System
simCS.tcl: Prepare Simulated-Only Backbone Chemical Shifts from PDB.

Flag	Argument	Default	Description
`-pdb`	`pdbName`	`ref.pdb`	PDB Input Name.
`-in`	`csInName`	`None`	Optional CS Input Name (Also: -cs).
`-out`	`csOutName`	`csSim.tab`	Chemical Shift Output Name.
`-verb`			Verbose Table Output ON (Default).
`-noverb`			Verbose Table Output OFF.

Ring Current Shift Calculation:

`-hms`	`hmsName`	`hmsInfo.tab`	Output for Ring Definitions. Use 'None' for no Calculation.
`-hmsAdd`			Add Ring Current Shifts to Predicted Shifts (Default).
`-hmsSub`			Subtract Ring Current Shifts from Observed Shifts.
`-hmsNone`			Ring Current Shifts are calculated but not used for adjustment.