Documentation for spots4cellnow


spots4cellnow reads a SPOT.XDS from an XDS integration and converts it to a file called spots.cellnow in a format that it can be read by cell_now.


spots4cellnow is distributed under the GNU General Public License. Please contact me if this license is not suitable for your purposes.

If you compile spots4cellnow for other platforms or operating systems I would appreciate a copy for redistribution.



spots4cellnow -h
shows a short usage summary:
*spots4cellnow: Transform XDS spot list (SPOT.XDS) to orth.     *
*               coordinates for input to cell_now.              *
*               Enter 'spots4cellnow -h' for usage instructions.*
* Copyright: Tim Gruene, 2010                                   *
---> Error: Unable to open "SPOT.XDS".
---> Error reading spots file SPOT.XDS. Exiting.
Usage: spots4cellnow [options]
       Without any options, XDS.INP and COLSPOT.LP are read for
       parameters and SPOT.XDS is converted to spots.cellnow
Options are:
  -h: print this message and exit.
  -?: same as '-h'
  -s FILE:     use FILE instead of SPOT.XDS
  -P FILE:     use FILE instead of XDS.INP
  -X FILE:     use FILE instead of IDXREF.LP
  -o FILE:     write data to FILE (default: spots.cellnow)
  -d DIST:     set detector distance (*)
  -l LAMBDA:   set wavelength (*)
  -f DELTAPHI: set framewidth (*)
  -x QX:       use QX as x-pixelsize [mm] (**)
  -y QY:       same as '-x' for y-pixelsize [mm] (**)
 Without any parameters, 
    - spots are read from SPOTS.XDS
    - parameters (*) are read from XDS.INP
    - pixel dimensions (**) are read from IDXREF.LP

Tim Gruene

Last modified: Nov 30, 2020 16:28