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CCDC的软件检索方法 1 CellCheckCSD 下载地址[https://ccdc.cam.ac.uk/Community/csd-community/CellCheckCSD/] 2 Winddows版安装[略] 以windows版为例进行检索 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 ccdc_searcher.bat -query query1.xml ccdc_searcher.bat -query D:\queries\query2.xml -results D:\results\results2.xml 3 Linux 版下载安装 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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