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



Programs of the NMRPipe System
Var2Pipe: Varian to NMRPipe-Format Conversion

Usage:
  var2pipe hdrFlags < varData > pipeFile
General Flags:
Flag Argument Default Description
 -in inName Varian Input.
 -out outTemplate NMRPipe Output.
 -ov Force Overwrite.
 -nofs No File Size Check.
 -nodir Suppress Creation of Directory.
 -verb Verbose Mode On.
Byte-Swap Options:
 -swap Do Four-Byte Swap (Default).
 -noswap Suppress Four-Byte Swap.
 -aswap Suppress Four-Byte Swap. (Meaning is System-dependant)
 -noaswap Do Four-Byte Swap. (Meaning is System-dependant)
Varian Header Flags:
 -hdr Use Varian Header Data (Default).
 -nohdr Don't Use Varian Header.
 -hw hSize 8 Header Size in Four-Byte Words.
 -pw pSize 7 Pad Size in Four-Byte Words.
 -info Show Header Info on stdout, Don't Convert Data.
Options Set Via Varian Header:
 -i2r Convert Integer to Real.
 -noi2r No Integer to Real Conversion.
 -short Input is Two-Byte Data.
 -long Input is Four-Byte Data.
 -dsp Input is floating-point DSP data (Same as -noi2r).
Parallel Processing (Not Implemented):
 -par sListName Server List File Name.
 -first firstPlane First Plane to process.
 -last lastPlane Last Plane to process.

General Header Arguments:
 -fdata loc val... Adjust File Header.
 -u1 -u2...-u5 User Parameters.
 -ndim Number of Dimensions.
 -tau Tau Value.
 -day Day.
 -month Month (1-12).
 -year Year.
 -hours Hours (0-23).
 -mins Minutes (0-59).
 -secs Seconds (0-59).
 -temp Temperature, Degrees C.
 -aq2D 2D Acquisition Code or Keyword:
  0=Magnitude.
  1=TPPI.
  2=States.
  3=Image.
 -pipeFlag 0=Multi-File Data.
  1=Pipeline Stream or Single File.
 -tpFlag 0=Not Transposed.
  1=Transposed.

Header Labels:
 -srcName Source File Name.
 -operName Operator Name.
 -userName User Name.
 -comment Comment.
 -title Title.

Axis-Specific Header Flags -x.. -y.. etc:
Default Values are zero:
 -xN Actual Size in File Pts Real + Imag.
 -xT Current Time Domain Size Pts Real or Imag.
 -xSW Full Spectral Width Hz.
 -xOBS Observe Frequency MHz.
 -xCAR Carrier Position ppm.
 -xLAB Axis Label 8 Chars, No Spaces.

 -xMODE Acquisition Mode Code or Keyword:
  0=Complex,States,Complex-N,States-N.
  0=States-TPPI,States-TPPI-N.
  1=Real,TPPI.
  2=Sequential,Bruker.

 -xALT Sign Adjustment Code or Keyword:
  0=Complex,States No Alternation Needed.
  0=Real,TPPI No Alternation Needed.
  1=Sequential,Bruker Real Alternation.
  2=States-TPPI Complex Alternation.
  With Negation of Imaginaries:
  16=Complex-N No Alternation Needed.
  16=States-N No Alternation Needed.
  18=States-TPPI-N Complex Alternation.

Note: Default Sign Adjustment Mode is Automatically
Set by the Corresponding Acquisition Mode Keyword.

Axis-Specific Header Flags -xQ -yQ etc. Not required for conversion. Used to adjust header:
 -xTD Original Time Domain Size. Pts.
 -xFD Final Max Freq Domain Size. Pts.
 -xZFP Zero Fill Parameter. Pts (Negative).
 -xMID Carrier Virtual Loc. Pts.
 -xORIG Last Point Coord. Hz.
 -xDIM Dimension Order.
  2=Original X-Axis
  1=Original Y-Axis
  3=Original Z-Axis
  4=Original A-Axis
 -xFT Fourier Flag Code or Keyword:
  0=Time Time-Domain Data.
  1=Freq Frequency-Domain Data.

Special Acquisition-Axis Flags (no longer required):
 -aqN Actual Size. Pts Real or Imag.
 -aqMODE Acquisition Mode. 0=Complex.
  1=Real.
  2=Sequential.

Axis-Specific Processing Values -xQ -yQ etc:
 -xAPOD Apodize Function SP EM GM TM TRI or NONE.
 -xQ1 Apodize Parameter 1. Depends on Function.
 -xQ2 Apodize Parameter 2. Depends on Function.
 -xQ3 Apodize Parameter 3. Depends on Function.
 -xC1 First Point Scale. Default is 1.0.
 -xP0 Zero Order Phase. Degrees.
 -xP1 First Order Phase. Degrees.

Special Varian Format Flags:
 -sign Use Sign Adjustment (Default).
 -nosign Suppress Sign Adjustment.

 -aqORD aqOrd 0 Acquisition Order Code.
  0 = 2D d2,phase
  0 = 3D d3,d2,phase2,phase
  0 = 4D d4,d3,d2,phase3,phase2,phase
  1 = 3D d3,d2,phase,phase2
  1 = 4D d4,d3,d2,phase,phase2,phase3
  2 = 4D d3,d2,d4,phase3,phase2,phase

Notes:
  1. 4D Conversion requires explicit input file
  as specified by the -in argument.
  2. By default, byte-swap is ON for Pentium systems,
  and OFF for other platforms.

Under Construction

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last updated: Jan 22, 2009 / big frank

Contact site designer mimi at mdelaglio@hotmail.com