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



Scripts of the NMRPipe System
Draw a Simple Static 3D Cube Display of NMRPipe-Format 3D Data:

Flag Argument Default Description
 -in inName ft/test%03d.ft3 3D Spectrum to Draw (Default can change).
 -plev plev 1 Number of Positive Contours.
 -nlev nlev 1 Number of Negative Contours.
 -hi hi Auto Contour Height (value or %.)
 -mult mult 7.0 Factor for Auto Contour Height.
Spectral Orientation for Drawing:
 -xName xName H_AXIS Spectral Axis Name for Plot X-Axis.
 -yName yName V_AXIS Spectral Axis Name for Plot Y-Axis.
 -zName zName Z_AXIS Spectral Axis Name for Plot Z-Axis.
 -aName aName A_AXIS Spectral Axis Name, 4D Data Only.
Spectral Limits (Use -x -y -z -a with Units % Hz ppm pts):
 -ix1 ix1 0% Starting Coord of Range to Plot.
 -ixn ixn 100% Ending Coord of Range to Plot.
Drawing Sizes:
 -cxSize cxSize 400 Plot X-Axis Size, Pixels.
 -cySize cySize 400 Plot Y-Axis Size, Pixels.
 -czSize czSize Auto Plot Final Z-Axis Offset, Pixels.
Window Position on Screen:
 -xOff xOff 16 Window Horizontal Offset, Pixels.
 -yOff yOff 32 Window Vertical Offset, Pixels.
Spectrum Colors:
 -colors cList red ... List of Colors for Spectral Drawing.
 -posColor pColor None Fixed Color for Positive Contours.
 -negColor nColor None Fixed Color for Negative Contours.
Drawing Colors:
 -fgColor fg white Forground Color (for Box Outlines).
 -bgColor bg black Background Color.
Notes:
  1. Contour height can be specified as a value, or by a
  percentage ending with the '%' character, or by keywords
  'Auto' or 'Full'.
  2. Use '-colors multi' for spectral colors selected according
  to intensity rather than Z-Axis position.
  3. See file 'rgb.txt' in the NMRPipe 'nmrtxt' directory for valid
  colors (/u/delaglio/nmrtxt/rgb.txt).
  4. The graphic produced is a simple stack of fixed-sized 2D
  plots with a linear offset.

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last updated: Apr 20, 2011 / big frank

Contact site designer mimi at mdelaglio@hotmail.com