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NMRWish Command List


Region of Interest (ROI) Manipulation

readROI Read a Region of Interest (ROI)
writeROI Write a Region of Interest (ROI)
defineCell Define a Drawing Area (Cell) on a Window or Page
drawROI Draw a Region of Interest (ROI)
drawBox Draw a Box
drawLine Draw a Line
drawRec Draw a Filled Rectangle
drawText Draw a Line of Text
newScreen Clear the Display Area
drawSettings Adjust Draw Settings
getROIInfo Get Info on a Region of Interest (Cell)
getCellInfo Get Info on a Drawing Area (Cell)
setCellKey Associate Data with a Drawing Area (Cell)
setROIKey Associate Data with a Region of Interest (ROI)
pkFindROI 1D-4D Peak Detection in Region of Interest (ROI)
plotClose Close a PostScript Output File
plotOpen Open a PostScript Output File
plotSend Send a PostScript Plot to a Printer
plotSettings Adjust PostScript Settings
plotWrite Write to the Current PostScript Output File
writeImage Write an Image File from Screen or Data
pnt2spec Convert Point Location to Spectral Coord
pnt2specW Convert Width in Points Spectral Units
spec2pnt Convert a Coord in Spectral Units to Points
spec2pntW Convert a Width in Spectral Units to Points
spec2pix Convert Spectral Coords to Graphics Coords
pix2spec Convert Graphics Coords to Spectral Coords
freeCell Free a Drawing Area (Cell)
freeROI Free a Region of Interest (ROI)

Generic Database Functions (GDB)

gdbAddNote Add Text Notation to a Database or Table
gdbAppend Append Two Tables
gdbCheck Check Integrity of a Database or Table
gdbCreate Create a GDB Database Object
gdbDelNote Delete A Text Notation
gdbDestroy Destroy a GDB Database Object
gdbEast Get the Item to the East
gdbFind Find a GDB Database Object
gdbFindByName Find a GDB Database Object by Name
gdbFirst Get the First Item Associated with a Database Object
gdbGet Get a Database Value
gdbGetInfo Get Properties of a Database Object
gdbInit Initialize the GDB Database Engine
gdbJoin Join Two Tables
gdbLast Get the Last Item Associated with a Database Object
gdbNext Get the Next Item
gdbNorth Get the Item to the North
gdbPrev Get the Previous Database Item
gdbRead Read a Database, GDB Table, or PDB File
gdbReverse Reverse the Items in a Database Object
gdbSelect Perform a Database Query
gdbSet Set a Database Value
gdbSetInfo Set Properties of a Database Object
gdbSort Sort a Database Table
gdbSouth Get the Item to the South
gdbSpecial Special-Purpose Functions
gdbSwap Swap Database Objects
gdbTest Test for Missing Values in Entry
gdbTestVal Test for Missing Values in Cells
gdbWest Get the Item to the West
gdbWrite Write a Database, GDB Table, or PDB File

DYNAMO Structure Manipulation

dynAlign Calculate Optimal Alignment of Two Structures
dynCopy Copy Structure Coordinates
dynCreate Create a DYNAMO Object
dynDestroy Destroy DYNAMO Object
dynDynamics Initiate or Continue Dynamics Steps
dynEnergy Calculate a Dynamics Energy Term
dynFree Deallocate a DYNAMO Object
dynGet Get Properties of a DYNAMO Object
dynGetDist Get Distance Info from a Structure
dynGetInfo Get General Info from a Structure
dynGetPhiPsi Get Protein Backbone Angles
dynHomology Get a Homology Score
dynInit Initialize DYNAMO Structre Manipulation Engine
dynRead Read a DYNAMO Structure or Table
dynRestore Restore Coordinates or Settings
dynRotate Rotate Selected Atoms
dynSelect Select Atoms from a Structure
dynSet Set Properties of a DYNAMO Object
dynSetChainID Set the ChainID of Selected Atoms
dynSetPhiPsi Set Protein Backbone Angles
dynSetTemperature Set Temperature for Dynamics
dynSimulate Simulation of Table Data (Shifts, Couplings, etc)
dynStore Save Coordinates or Settings
dynSurface Get a Ramachandran Score
dynTransform Create, Adjust, or Apply a Coordinate Transform
dynTranslate Translate (Move) Selected Atoms
dynWrite Write a DYNAMO Structure or Table

Manipulation of NMRPipe Format Data

getParm Extract a Numeric Value from an NMRPipe Header
setParm Set a Numeric Value in an NMRPipe Header
getParmStr Extract a Text Value from an NMRPipe Header
setParmStr Set a Text Value in an NMRPipe Header
buildHdr Create an NMRPipe Header
fixHdr Fix Contents of NMRPipe Header
testHdr Test NMRPipe Header for Byteswap
swapHdr Apply Byteswap to NMRPipe Header
nmrInit Initialize an NMRPipe Processing Function
nmrExec Apply an NMRPipe Processing Function
nmrFree Free an NMRPipe Processing Function

Manipulation of NMRWish Binary Data

getBinary Get a Binary Value a Hex Data
setBinary Set a Binary Value by Hex Data
getMatVal Get a Value from a Binary Matrix
getPtr Get the Numeric Value Referenced by a Pointer
getPtrStr Get the Text Value Referenced by a Pointer
getPtrVal Get the Numeric Value Referenced by a Pointer
setMatVal Set a Value in a Binary Matrix
setPtr Set the Numeric Referenced by a Pointer
setPtrStr Set the Text Value Referenced by a Pointer
setPtrVal Set the Numeric Referenced by a Pointer
incrPtr Increment a Pointer by its Value
incrPtrVar Increment a Pointer by its Variable Name

Access to System Dynamic Memory and I/O Functions

sysClose Close a Binary File
sysFree Free Allocated Data
sysMalloc Allocate Data
sysOpen Open a Binary File
sysRead Read from a Binary File
sysReadB Read from a Binary File, Wait for Completion
sysSeek Seek a Position in a Binary File
sysWrite Write to a Binary File
sysWriteB Write to a Binary File, Wait for Completion
sysTime Get the Current Date and Time
system Execute a Command in the Operating System

Vector Processing

vvMove Move Elements from One Vector to Another
vvMove2 Move Dispersed Elements from One Vector to Another
vSurface Calculate 2D Gaussian Surface
vInterp 1D Interpolation
vLinSol Linear Least Squares Solver via SVD (Binary)
vAbsCor Spectral Absorbance Correction
vvCast Convert Vector Binary Format
vEstNoise Return Noise Estimate
vMaxAbs Return Maximum Absolute Value
vMaxLoc Return Location of Maximum Absolute Value
vMinAbs Return Minimum Absolute Value
vMinLoc Return Location of Minimum Absolute Value
vMax Return Maximum Value
vMin Return Minimum Value
vSum Return Sum
vACos Arc-Cosine of Elements in Vector
vASin Arc-Sine of Elements in Vector
vAbs Absolute Value of Elements in Vector
vByteSwap Byte Swap of Elements in Vector
vCos Cosine of Elements in Vector
vExp Exponential of Elements in Vector
vLog Log of Elements in Vector
vNeg Negative of Elements in Vector
vRev Reverse Order of Elements in Vector
vSin Sine of Elements in Vector
vsAdd Add a Constant to Vector
vsDiv Divide Vector by a Constant
vsFix Zero Vector Elements Within +/- Threshold
vsMult Multiply Vector by a Constant
vsPower Raise Vector Elements to a Power
vsSet Set Vector Elements to a Constant
vsSub Subtract a Constant from Vector
vvAdd Add Vector Elements
vvDiv Divide Vector Elements
vvMult Multiply Vector Elements
vvSub Subtract Vector Elements
vvSwap Swap Vector Elements

Miscellaneous

svdLinSol Linear Least Squares Solver via SVD (Text)
strcasecmp Compare Two Strings (Not Case Sensitive)
strcmp Compare Two Strings (Case Sensitive)
rand Generate a Uniform or Gauss-Random Number
srand Set the Random Number Seed