Solution

CellCheckCSD is best used via third-party XRD data collection programs that act as an interface to it, such as Rigaku's CrysAlisPro, or Bruker's APEX2. CellCheckCSD may also be used via the command line by first preparing a suitable XML input file, by using the arguments detailed below. See the example XML query files and the ReducedCellQuerySchema.txt file for details on how to construct a suitable input XML file.
 
Windows Version Instructions
============================
 
CellCheckCSD is run via the 'ccdc_searcher.bat' file located in the 'bin' directory of your
installation. It is run in the following way via a DOS command prompt window from within
the 'bin' subsirectory of your installation:
Usage:
======
ccdc_searcher.bat -query <XML query file path> [-results <XML results file path>] [-help]
     -query      : Required Argument - the full path to the XML query file to
                   search for
     -results    : Optional Argument - the full path to the XML search results
                   file to write; if not defined, will write results to
                   'ccdc_searcher.xml' in current directory
     -help       : Optional Argument - show usage and exit
 
Examples:
=========
ccdc_searcher.bat -query query1.xml
ccdc_searcher.bat -query D:\queries\query2.xml -results D:\results\results2.xml
 
Linux Version Instructions
==========================
 
CellCheckCSD is run via the 'ccdc_searcher' script located in the 'bin' directory of your
installation. It is run in the following way at a console from within the 'bin' subdirectory
of your installation:
 
Usage:
======
 
./ccdc_searcher -query <XML query file path> [-results <XML results file path>] [-help]
     -query      : Required Argument - the full path to the XML query file to
                   search for
     -results    : Optional Argument - the full path to the XML search results
                   file to write; if not defined, will write results to
                   'ccdc_searcher.xml' in current directory
     -help       : Optional Argument - show usage and exit
 
Examples:
=========
./ccdc_searcher -query query1.xml
./ccdc_searcher -query /queries/query2.xml -results /results/results2.xml

Making CellCheck CSD Available Globally
=======================================
To run CellCheckCSD from any location you will need to add the <installdir>/bin directory
to your system PATH. To do so, use the commands:
      export PATH=<installdir>/bin:$PATH
     
if using sh or bash shell, or
     
      setenv PATH <installdir>/bin:$PATH
if using csh.
To make these changes permanent you will need to add these lines to your users' .login (csh) or .profile (sh) files. Alternatively, place the commands in a system-wide login or profile script (such as /etc/profile) to apply to all users. Once done, typing
ccdc_searcher
from a command line prompt should start CellCheckCSD.

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