Frank Delaglio NMR Science Home

Welcome: an Introduction to this Site

NMRPipe: a Comprehensive Software System for Biomolecular NMR

Special Applications: NMR Drug Screening, Automation, and so on

Dipolar Couplings, Chemical Shifts, and Protein Structure

Miscellaneous

Frank's CV, Recent Slides, and Thesis

  Frank Delaglio, Ph.D.

  Software Science Consultant
  13840 Grey Colt Drive
  North Potomac MD 20878 USA

Tel: 301 806-0867
  Fax: 301 309-8717
  E-mail: delaglio@nmrscience.com

NMRWish Built-In TCL Functions

This particular reference page lists the Built-In functions which have been added to the "nmrWish" TCL/TK interpreter, for example the gdbRead command for reading an NMRPipe-format table. These functions are only used within NMRWish TCL/TK scripts.

Many of these TCL functions are used frequently in the various application scripts and TCL library procedures which are part of the NMRPipe system. Some functions, however, may rarely be used, were added only for development purposes, or may be superseded by more recent additions to the software. In an attempt to indicate which functions are used most frequently, the reference list includes an instance count. In the current version of this Reference List, the instance count tallies how often NMRPipe's developer Frank Delaglio has used a function or option in a script during both routine use and research and development of the software.

NMRWish Built-In TCL Functions

Name	Instances	Description	Common Arguments (Instances)
buildHdr	15	Create and set an NMRPipe-format data file header; often used to create synthetic data.	`-xN (15)` `-xT (15)` `-xMODE (15)` `-xSW (15)` `-xOBS (15)` `-xCAR (15)` `-xLAB (15)` `-ndim (15)` `-xFT (13)`
decoNMR	3	Matrix decomposition of NMRPipe-format data by nonlinear least-squares.	`-rdata (2)` `-fdata (2)` `-noise (2)` `-thresh (2)` `-verb (2)` `-step (2)` `-tol (2)` `-nc (2)` `-help (1)`
defineCell	219	Define a cell, which is a spectral drawing region on the screen or PostScript page.	`-x (219)` `-cell (219)` `-y (218)` `-win (138)` `-verb (47)` `-roiRef (8)` `-cellRef (4)`
drawBox	39	Draw a rectangular outline in the spectral graphics area of the screen or a PostScript page.	`-x (39)` `-y (39)` `-fg (39)` `-cell (11)` `-roi (3)`
drawLine	80	Draw a line in the spectral graphics area of the screen or a PostScript page.	`-x (80)` `-fg (79)` `-y (71)` `-cell (62)` `-roi (26)` `-roiRef (18)` `-thick (9)`
drawROI	285	Draw spectral data (a Region-of-Interest, or ROI) in a graphics area of the screen or a PostScript page.	`-roi (285)` `-cell (279)` `-bg (239)` `-hi (185)` `-color1 (108)` `-color2 (103)` `-fg (101)` `-axis (96)` `-plev (77)`
drawRec	179	Draw a filled rectangle in the spectral graphics area of the screen or a PostScript page.	`-x (179)` `-y (179)` `-fg (179)` `-cell (98)` `-noupdate (34)` `-roiRef (16)` `-roi (11)` `-win (6)` `-extendedColor (1)`
drawSettings	21	Adjust the parameters for drawing in the spectral graphics area of the screen or PostScript page.	`-reset (19)` `-extendedColor (2)`
drawText	125	Draw text in the spectral graphics area of the screen or a PostScript page.	`-x (125)` `-y (125)` `-text (125)` `-fg (106)` `-cell (102)` `-yOff (37)` `-bg (35)` `-center (24)` `-roiRef (21)`
dynAlign	64	Find the translation and rotation that minimizes the difference in coordinates between two related molecular structures.	`-aSrc (64)` `-refSrc (62)` `-r1 (59)` `-rN (59)` `-a1 (59)` `-atom (15)` `-apply (15)` `-verb (15)` `-max (4)`
dynCopy	0	Copy a DYNAMO object. Currently, only copies a PDB object.
dynCreate	0	Create a DYNAMO object.
dynDestroy	0	Destroy (de-allocate) DYNAMO object and the resources associated with it. Same as dynFree. Currently, only works for PDB, CS (Chemical Shift) and DC (Dipolar Coupling) objects.
dynDynamics	3	Take a dynamics step in a simulated annealing molecular structure calculation.	`-src (3)` `-timeStep (3)` `-tempControl (3)` `-temp (3)` `-init (1)`
dynEnergy	4	Evaluate the energy at a given step of a simulated annealing molecular structure calculation.	`-src (4)` `-bond (4)` `-dist (4)` `-angle (4)` `-improper (4)` `-torsion (4)` `-j (4)` `-dt (4)` `-ac (4)`
dynEuler	20	Find possible XYZ-format rotational angles associated with a given rotation matrix, or find the rotation angles that map one rotation onto another.
dynEval	9	Evaluate the energy of a given structure.	`-src (9)` `-dc (1)` `-j (1)` `-angle (1)` `-uangle (1)` `-improper (1)` `-torsion (1)` `-bond (1)` `-ac (1)`
dynFree	121	Same as dynDestroy	`-src (4)` `-cs (4)` `-pdb (1)` `-dc (1)`
dynGet	0	Gets a DYNAMO parameter.
dynGetAlpha	0	Get the alpha torsion angle CA(i-1) CA(i) CA(i+1) CA(i+2) for selected residues.
dynGetAngle	0	Gets the angle formed by the three specified atoms.
dynGetAtomInfo	0	Get the parameters associated with an atom, such as atom name, residue name, and coordinates.
dynGetChi	12	Get the Chi sidechain angle for selected residues.	`-src (12)` `-res (12)` `-all (11)` `-chi1 (1)`
dynGetCoord	17	Get the coordinates for selected atoms.	`-src (17)` `-atomEntry (17)` `-verb (10)` `-dyn (1)`
dynGetDist	19	Get the distance between two specified atoms.	`-src (19)` `-atomI (13)` `-atomJ (13)` `-contact (6)` `-verb (6)` `-dist (6)`
dynGetInfo	266	Get information associated with a DYNAMO object; commonly, used to extract the first and last residue ID in a molecular structure.	`-src (264)` `-res (65)` `-resName (60)` `-all (10)` `-extent (6)` `-segName (3)` `-limits (3)` `-seg (2)` `-atomName (2)`
dynGetKappa	0	Get the Kappa angle CA(i-2) CA(i) CA(i+2) of selected residues.
dynGetNAAngles	2	Get angles from a Nucleic Acid structure.	`-src (2)` `-res (2)`
dynGetOmega	12	Get the Omega torsion angle CA(i-1) C(i-1) N(i) CA(i) from selected residues.	`-src (12)` `-res (12)`
dynGetPDBStr	25	Create a text entry describing an atom in the form of a PDB ATOM line.	`-resID (21)` `-resName (21)` `-atomName (21)` `-chain (21)` `-x (21)` `-y (21)` `-z (21)` `-atomID (4)`
dynGetPhi	5	Get the protein backbone torsion angle phi C(i-1) N(i) CA(i) C(i) for selected residues.	`-src (5)` `-res (5)`
dynGetPhiPsi	111	Get the protein backbone torsion angle pair phi and psi for selected residues.	`-res (111)` `-src (111)` `-phi (1)` `-psi (1)`
dynGetPsi	5	Get the protein backbone torsion angle psi N(i) CA(i) C(i) N(i+1) for selected residues.	`-src (5)` `-res (5)`
dynGetTorsion	3	Get the torsion associated with the four named atoms.	`-src (3)` `-atomI (3)` `-atomJ (3)` `-atomK (3)` `-atomL (3)`
dynHomology	8	Compute a simple residue type homology score for two amino acid sequences of the same length.	`-refSrc (8)` `-aSrc (8)` `-r1 (8)` `-rN (8)` `-a1 (8)`
dynInit	300	Initialize the DYNAMO structure manipulation environment.	`-fast (106)` `-nowarn (43)` `-warn (6)`
dynRama	6	Compute a ramachandran statistic for the backbone angles of a protein or fragment.	`-refSrc (6)` `-aSrc (6)` `-a1 (6)` `-r1 (5)` `-rN (5)` `-s1 (1)` `-sN (1)`
dynRead	593	Read a table or molecular structure for the DYNAMO structure manipulation environment.	`-in (593)` `-pdb (372)` `-verb (191)` `-dc (110)` `-src (66)` `-r1 (65)` `-rN (65)` `-cs (58)` `-atomName (55)`
dynRestore	32	Restore molecular coordinates which were first saved by dynStore	`-src (2)`
dynRotate	37	Apply a 3D rotation to the given molecular structure.	`-rx (37)` `-ry (37)` `-rz (37)` `-src (34)` `-all (31)` `-verb (6)` `-center (3)` `-inv (2)`
dynSearch	20	Perform NMR Homology Search (Molecular Fragment Replacement)	`-search (16)` `-src (12)` `-pdbName (8)` `-r1 (6)` `-rN (6)` `-init (4)` `-cs (4)` `-homoW (4)` `-ramaW (4)`
dynSelect	54	Select atoms according to the specified conditions, such as by residue name, etc.	`-src (52)` `-res (21)` `-atom (19)` `-list (19)` `-atomName (16)` `-clear (12)` `-glob (7)` `-seg (6)` `-r1 (6)`
dynSet	0	Set a DYNAMO parameter, such as the temperature in a simulated annealing schedule.
dynSetAtomInfo	0	Set the information associated with an atom, such its coordinates.
dynSetAtomName	0	Set the atom name for selected atoms.
dynSetChain	26	Sets the chain name for selected atoms.	`-src (26)` `-chain (22)` `-id (4)`
dynSetChainMode	46	Allow PDB chain name to be ignored when selecting and identifying atoms.	`-ignore (46)`
dynSetChi	0	Set the protein sidechain angles for selected residues.
dynSetCoord	4	Set the coordinates of the given atom.	`-src (4)` `-atomEntry (4)` `-x (2)` `-y (2)` `-z (2)` `-charge (1)` `-occ (1)`
dynSetInfo	0	Set information associated with a DYNAMO object.
dynSetOmega	0	Set the omega angle CA(i-1) C(i-1) N(i) CA(i) for the selected residues.
dynSetPhiPsi	131	Set the protein backbone angles phi C(i-1) N(i) CA(i) C(i) and psi N(i) CA(i) C(i) N(i+1) for the selected residues.	`-src (131)` `-res (131)` `-phi (131)` `-psi (131)` `-store (99)`
dynSetResName	0	Set the residue name for selected atoms.
dynSetSeg	10	Set the segment name for selected atoms.	`-src (10)` `-seg (6)`
dynSetSegMode	47	Allow PDB segment name to be ignored when selecting and identifying atoms.	`-ignore (47)`
dynSetTempFactor	0	Set the temperature factor for a DYNAMO annealing scheme.
dynSetTemperature	0	Set the temperature for a stage in a DYNAMO annealing scheme.
dynSetTensor	43	Set the parameters associated with an alignment tensor, as used in dipolar coupling and pseudo-contact shift calculation.	`-dc (42)` `-da (32)` `-dr (32)` `-dadr (27)` `-auto (22)` `-rxRef (16)` `-ryRef (16)` `-rzRef (16)` `-rotref (15)`
dynSimulate	239	Calculate NMR parameters from structure, including backbone chemical shifts, dipolar couplings, and J-couplings.	`-src (239)` `-a1 (160)` `-s1 (140)` `-sN (140)` `-dc (129)` `-verb (72)` `-cs (56)` `-svd (48)` `-r1 (42)`
dynStore	0	Store a temporary copy of a PDB structure's coordinates.
dynSurface	19	Compute the solvent-accessible surface.	`-refSrc (14)` `-aSrc (14)` `-r1 (14)` `-rN (14)` `-a1 (14)` `-src (5)` `-r (2)` `-tol (2)` `-verb (1)`
dynTransform	7	Apply rotation and translation to a molecular structure.	`-src (4)` `-all (4)` `-center (3)` `-reset (2)` `-verb (2)` `-m (1)` `-apply (1)`
dynTranslate	15	Apply translation to a molecular structure.	`-src (15)` `-all (12)` `-center (8)` `-tx (7)` `-ty (5)` `-tz (5)` `-verb (2)`
dynWrite	274	Write the DYNAMO table or molecular structure.	`-out (273)` `-src (167)` `-pdb (161)` `-verb (106)` `-rem (83)` `-dc (47)` `-cs (33)` `-renumber (10)` `-j (9)`
fixHdr	0	Adjust an NMRPipe-format header to handle byte-swapping.
freeCell	0	Remove the definition of a spectral drawing area (cell) on the screen or PostScript page.
freeROI	0	Delete the spectral data region (ROI, region-of-interest).
gammaq	0	Calculate the Incomplete Gamma Function Value
gdbAddNote	40	Add a text entry, such as a comment line, to a GDB Database table.
gdbAppend	3	Append one GDB table after another; commonly, this will be done for two tables which have the same number of columns. See Also: gdbJoin	`-src (3)` `-dest (3)`
gdbCheck	2	Test the integrity of the GDB database.	`-verb (2)`
gdbCreate	279	Create a GDB database object; commonly used to add a variable (column) or entry (row) to a table.	`-name (122)` `-parent (116)` `-varType (87)` `-varFmt (87)`
gdbDelNote	2	Delete a given text entry in a GDB database table.
gdbDestroy	94	Delete GDB database object; commonly used to delete the contents of a table when it is no longer needed.	`-verb (1)`
gdbFindByName	104	Find a GDB object by its name; commonly used to find a particular variable (column) in a given table.
gdbFirst	176	Find the first entry (row) in a table.
gdbFree	79	Same as gdbDestroy.
gdbGet	2684	Extract the value associated with a database cell, which is a particular value in a table, specified by its entry (row) and variable (column).
gdbGetInfo	543	Get information about an object in the GDB database; commonly used to get a list of entries (rows) in a table.	`-parms (542)` `-params (1)`
gdbInit	157	Initialize the GDB database engine; usually not needed, because this step is performed automatically the first time that a table is read by the gdbRead command.
gdbJoin	0	Join two tables along the rows; commonly, this will be done for two tables which have the same number of rows.
gdbLast	6	Find the last entry (row) in a GDB database table.
gdbNext	237	Find the next entry in a GDB database.
gdbPrev	9	Find the previous entry in a GDB database.
gdbRead	643	Read a NMRPipe-format database table or PDB file into the GDB database engine.	`-in (643)` `-name (129)` `-pdb (70)` `-verb (53)` `- (3)` `-hetatm (3)`
gdbReverse	0	Reverse the order of GDB objects, such as entries (rows) in a table.
gdbSelect	322	Perform a database Query, i.e., select entries from a GDB table according to one or more conditions.	`-from (322)` `-cond (322)` `-inPlace (67)` `-M (61)` `-new (23)` `-tcl (13)` `-mSQL (5)` `-vars (1)`
gdbSet	408	Set the value associated with a database cell, which is a particular value in a table, specified by its entry (row) and variable (column).
gdbSetInfo	0	Set the information associated with a GDB database object.
gdbSetVal	8	Same as gdbSet
gdbSort	7	Sort the data in a GDB database table according to a given column (variable). OBSOLETE: replaced by the more flexible function gdbSortTab.
gdbSortTab	5	Sort the data in a GDB database table according to a given column (variable).	`-down (1)` `-abs (1)`
gdbSwap	0	Swap the order of two objects in a GDB database, such as two entries (rows) in a table.
gdbTest	0	Test whether a GDB cell (value at a given row and column) has data or is empty.
gdbWrite	116	Write the GDB database table.	`-noverb (21)` `-pdb (16)` `-verb (1)`
geco	0	Genetic Algorithm for Combinatorial Optimization.
getBinary	0	Get the value at a pointer location in a binary array as a hex number.
getCellInfo	37	Get the graphics coordinates and parameters associated with a cell, which is a spectral drawing region on the screen or a PostScript page.	`-cell (35)` `-win (12)` `-x (5)` `-y (5)` `-roi (3)`
getParm	217	Get the named numerical parameter, such as size or spectral width, from an NMRPipe-format data header in a binary array. See also: TCL script function rdFDATA, nmrWish commands buildHdr and sysMemory.
getParmStr	90	Get the named text parameter, such as axis label, from an NMRPipe-format data header in a binary array. See also: nmrWish functions getParm and sysMemory.
getPtrStr	4	Get the packed text at a pointer location in a binary array.
getPtrVal	248	Get the numerical value at a pointer location in a binary array.
getROIInfo	333	Get information associated with a an ROI (region of interest), specifically binary data pointers to the spectral data and header, and the sizes of each dimension of the ROI. See also: nmrWish functions readROI, getParm, getPtrVal, and the nmrWish binary vector functions .	`-roi (333)`
incrPtr	62	Return a new nmrWish binary data pointer after incrementing the location that it references.
incrPtrVar	0	Adjust variable whose value is an nmrWish binary data pointer.
modelXY	18	Non-linear least squares fitting of X/Y data pairs with monte carlo error analysis, according to a fitting function specified in TCL.	`-y (18)` `-p (18)` `-x (14)` `-macro (14)` `-gc (14)` `-noverb (11)` `-noise (10)` `-tol (8)` `-res (8)`
newScreen	58	Clear the graphics screen. See also: drawROI.	`-win (22)`
nmrExec	0	Execute an NMRPipe processing function on nmrWish binary data. See also: nmrInit, nmrFree.
nmrFree	0	De-allocate information for using an NMRPipe processing function within nmrWish. See also: nmrInit and nmrExec.
nmrInit	0	Initialize information and resources so that NMRPipe vector processing functions can be applied to nmrWish binary data.
pcaNMR	0	Principal Component Analysis matrix decomposition on spectral data in a region of interest (ROI). See also: readROI, reconNMR.
pdbAngle	14	Get the angle formed by three atoms in a PDB file, using nmrWish GDB database entries.
pdbCoords	0	Get the coordinates and other information of associated with an atom in a PDB file, using nmrWish GDB database entries.
pdbDist	11	Get the distance between atoms in a PDB file, using nmrWish GDB database entries.
pix2spec	74	Convert a pixel location in a spectral drawing area into spectral units such as PPM. See also: defineCell, readROI, drawROI	`-cell (74)` `-units (74)` `-roi (72)` `-x (40)` `-y (36)` `-win (17)` `-roiRef (2)`
pkFindROI	82	Perform peak detection on the given spectral region of interest (ROI). See also: readROI. NOTE: this command over-writes the given ROI spectral data.	`-roi (81)` `-sigma (81)` `-pChi (81)` `-plus (81)` `-minus (81)` `-dx (81)` `-idx (81)` `-out (81)` `-tol (80)`
pkLabelROI	0	Perform component labeling on the given spectral region of interest (ROI). See also: readROI, pkFindROI.
plotClose	59	Close the current PostScript plot file. See also: plotOpen, defineCell, drawROI.
plotOpen	40	Open a PostScript plot file for creating hard-copy spectral graphics. See also: defineCell, readROI, drawROI	`-color (36)` `-landscape (34)` `-paper (17)` `-plotName (13)` `-tray (4)` `-portrait (3)` `-c1Width (2)` `-c1Height (2)` `-lwPlus (1)`
plotSend	0	Send a finished PostScript plot file to the printer.
plotSettings	2	Adjust the settings for PostScript plot generation.	`-reset (2)`
plotWrite	6	Write text into the current PostScript plot file.
pnt2spec	96	Convert a point location to a location in spectral units such as PPM, given an NMRPipe-format header as nmrWish binary data.
pnt2specW	4	Convert a width specified in points to a width specified in spectral units such as Hz, given an NMRPipe-format header as nmrWish binary data.
rand	81	Return a uniformly distributed or gaussian random number. See also: srand.	`-gauss (8)`
readROI	676	Read a region of interest (ROI) from NMRPipe-format data.	`-roi (675)` `-in (654)` `-ndim (525)` `-x (366)` `-y (290)` `-verb (103)` `-dy (90)` `-z (62)` `-dx (54)`
reconNMR	4	Reconstruct NMRPipe-format data from decomposition results produced by pcaNMR.	`-x (4)` `-y (4)` `-z (4)` `-c (2)`
setBinary	0	Set the hex value at a pointer location in a binary array.
setCellKey	0	Associate information with a spectral drawing area (cell).
setParm	221	Set the named numerical parameter, such as size or spectral width, in an NMRPipe-format data header in a binary array. See also: TCL script function rdFDATA, nmrWish commands buildHdr and sysMemory.
setParmStr	2	Set the named text parameter, such as size or spectral width, in an NMRPipe-format data header in a binary array.
setPtrStr	0	Set the packed text value at a pointer location in a binary array.
setPtrVal	134	Set the numerical value at a pointer location in a binary array.
setROIKey	0	Associate data with a spectral region of interest (ROI). See also: readROI, drawROI.
spec2pix	215	Convert a location in spectral units such as PPM to a pixel location in a spectral drawing area and a particular region-of-interest (ROI). See also: defineCell, readROI, drawROI.	`-cell (215)` `-roi (123)` `-x (109)` `-y (106)` `-win (38)` `-nofold (7)` `-roiRef (4)`
spec2pnt	17	Convert a location in spectral units such as PPM to a point location in a particular region-of-interest (ROI). See also: readROI.
spec2pntW	18	Convert a width spectral units such as Hz to a width in points for a particular region-of-interest (ROI). See also: readROI.
srand	108	Set the random number seed for the rand random number generation function.
strcasecmp	1239	Compare two strings, case-insensitive.
strcmp	288	Compare two strings, case-sensitive.
svdLinSol	15	Use Singular Value Decomposition to solve a linear least squares matrix problem.	`-x (15)` `-y (15)`
swapHdr	0	Perform byte-swap on the NMRPipe-format header in an nmrWish binary data array.
sysByteSwap	0	Perform byte-swap on data in an nmrWish binary data array.
sysClose	28	Close a binary data file previously opened with sysOpen.
sysFree	46	De-allocate a binary data array previously allocated by sysMalloc.
sysMalloc	79	Allocate an nmrWish binary data array, return a pointer which references the array.
sysOpen	37	Open a binary data file or pipeline command for reading or writing. See also: sysRead, sysWrite, sysClose.
sysRead	19	Read binary data into an nmrWish binary data array, with automatic byte-swapping. Non-blocking form (returns immediately if no data is available). See also: sysOpen, sysReadB.
sysReadB	0	Read data into an nmrWish binary data array, with automatic byte swapping. Blocking version (stops until data is available, used for reading pipelines rather then files). See also: sysOpen, sysReadB.
sysReadBNS	0	Same as sysReadB, but without automatic byte swapping.
sysReadNS	0	Same as sysRead, but without automatic byte swapping.
sysSeek	0	Move to a particular location in a binary data for reading or writing. See also: sysOpen, sysRead, sysWrite.
sysTime	29	Return the current time in seconds and milliseconds.
sysWrite	37	Write binary data from an nmrWish binary data array, with automatic byte-swapping. Non-blocking form (returns immediately if no data is available). See also: sysOpen, sysWriteB.
sysWriteB	0	Write binary data from an nmrWish binary data array, with automatic byte-swapping. Blocking form (stops until data can be written, used for writing to pipelines rather then files). See also: sysOpen, sysWriteB.
system	10	Execute a UNIX command.
testHdr	0	Test the NMRPipe-format file header data in an nmrWish binary array, to determine if the data needs to be byte-swapped. See also: rdFDATA, fixHdr, sysOpen, sysRead.
updateHdr	5	Update the PPM calibration information for the NMRPipe-format header an nmrWish binary array. See also: rdFDATA, setParm.
vACos	0	Apply function to nmrWish floating-point binary data: arc cosine.
vASin	0	Apply function to nmrWish floating-point binary data: arc sine.
vAbs	9	Apply function to nmrWish floating-point binary data: absolute value.
vAbsCor	0	Perform an optical absorbance correction to floating-point binary data.
vAvg	0	Compute the average of values in floating-point binary data.
vBinarize	2	Binarize (set to 1 or 0) values in floating-point binary data according to their range.
vByteSwap	2	Apply byte-swap to nmrWish binary data.
vCos	0	Apply function to nmrWish floating-point binary data: cosine.
vEstNoise	29	Estimate the noise level of spectral data in an in an nmrWish floating-point binary data array. See also: sysRead, readROI.
vExp	0	Apply function to nmrWish floating-point binary data: exponential.
vInterp	0	Perform linear interpolation on floating-point binary data.
vLinSol	5	Perform linear least squares computation on floating-point binary data.	`-xPtr (5)` `-yPtr (5)` `-aPtr (5)` `-ePtr (5)` `-eCount (5)` `-vCount (5)` `-cCount (5)` `-eJump (5)` `-vJump (5)`
vLog	0	Apply function to nmrWish floating-point binary data: logarithm.
vMax	60	Find the maximum value in an nmrWish floating-point binary data array.
vMaxAbs	0	Find the maximum absolute value in an nmrWish floating-point binary data array.
vMaxLoc	2	Find the point location of the maximum value in an nmrWish floating-point binary data array.
vMedian	0	Find the median value in an nmrWish floating-point binary data array.
vMin	44	Find the minimum value in an nmrWish floating-point binary data array.
vMinAbs	0	Find the minimum absolute value in an nmrWish floating-point binary data array.
vMinLoc	0	Find the point location of the minimum value in an nmrWish floating-point binary data array.
vNeg	0	Apply function to nmrWish floating-point binary data: negate.
vPDF	0	Utility for Probability Surface generation.
vPDFCoords	2	Utility for Probability Surface generation.
vRMS	13	Find the root mean square (RMS) of values in an nmrWish floating-point binary data array.
vResize	2	Resize a 1D, 2D or 3D data matrix in an nmrWish floating point data array using Fourier interpolation.	`-src (2)` `-ndim (2)` `-xSize (2)` `-ySize (2)` `-xZF (2)` `-yZF (2)`
vRev	0	Reverse the order of points in an nmrWish floating-point binary data array.
vSin	0	Apply function to nmrWish floating-point binary data: sine.
vSort	3	Sort the values in an nmrWish floating-point binary data array.
vStdDev	3	Find the standard deviation of values in an nmrWish floating-point binary data array.
vSum	27	Find the average of values in an nmrWish floating-point binary data array.
vSurface	72	Add a term to a ramachandran distribution; used to general phi/psi surfaces for chemical shifts, etc.	`-sPtr (72)` `-val (72)` `-xSize (72)` `-ySize (72)` `-xfw (72)` `-yfw (72)` `-x0 (72)` `-y0 (72)` `-dPtr (27)`
vsAdd	0	Scalar operation on nmrWish floating-point binary data: add a constant.
vsDiv	7	Scalar operation on nmrWish floating-point binary data: divide by a constant.
vsFix	2	Scalar operation on nmrWish floating-point binary data: set data to zero if its absolute value is less then or equal to a constant.
vsIntegLoc	5	Find the location of the point where the integral (simple sum) of an nmrWish floating-point binary data array becomes larger then a given constant.
vsMult	15	Scalar operation on nmrWish floating-point binary data: multiple by a constant.
vsPower	0	Scalar operation on nmrWish floating-point binary data: raise to a power.
vsSet	21	Scalar operation on nmrWish floating-point binary data: set values to a constant.
vsSub	0	Scalar operation on nmrWish floating-point binary data: subtract a constant.
vvAdd	3	Vector-Vector operation on floating-point nmrWish binary data: addition.
vvCast	2	Vector-Vector operation on floating-point nmrWish binary data: type conversion (such as integer to float).
vvDiv	2	Vector-Vector operation on floating-point nmrWish binary data: divide.
vvDot	14	Vector-Vector operation on floating-point nmrWish binary data: dot product.
vvMove	18	Vector-Vector operation on floating-point nmrWish binary data: copy.
vvMove2	4	Multiple vector copying for floating-point nmrWish binary data.
vvMult	32	Vector-Vector operation on floating-point nmrWish binary data: multiply.
vvSub	5	Vector-Vector operation on floating-point nmrWish binary data: subtract.
vvSwap	0	Vector-Vector operation on floating-point nmrWish binary data: exchange contents of two vectors.
writeImage	22	Create and save an image in TIFF format using three nmrWish spectral data arrays for the red, green, and blue channels. See also: readROI, Stand-alone program pcaNMR, nmrWish function pcaNMR.	`-out (22)` `-x (13)` `-y (13)` `-gif (11)` `-roiR (9)` `-roiG (9)` `-roiB (9)` `-tiff (4)` `-iRMax (3)`
writeROI	169	Write a spectral data region-of-interest (ROI) as NMRPipe-format data.	`-roi (168)` `-out (168)` `-ov (158)` `-verb (14)` `-help (1)`

[ Home ] [ Terms of Use ] [ Copyright ]
last updated: Jan 22, 2009 / big frank

Contact site designer mimi at mdelaglio@hotmail.com