ccdc_searcher v1.1.1 - Copyright CCDC 2013 General Information =================== CellCheckCSD is best used via third-party XRD data collection programs that act as an interface to it, such as Agilent's CrysAlis Pro, 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 [-results ] [-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 [-results ] [-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 /bin directory to your system PATH. To do so, use the commands: export PATH=/bin:$PATH if using sh or bash shell, or setenv PATH /bin:$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.