“CCDC检索方法”的版本间的差异

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CCDC的软件检索方法
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利用CellCheckCSD 软件进行CCDC数据库的检索,查重的方法。
  
==1 CellCheckCSD==
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==CellCheckCSD 软件==
下载地址[https://ccdc.cam.ac.uk/Community/csd-community/CellCheckCSD/]
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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===
 
  
 +
==Winddows版==
 +
安装方法[略]
 +
检索方法:
 
     ccdc_searcher.bat -query <XML query file path> [-results <XML results file path>] [-help]
 
     ccdc_searcher.bat -query <XML query file path> [-results <XML results file path>] [-help]
 +
-query      : 检索文件,XML格式
  
-query      : Required Argument - the full path to the XML query file to search for
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-results    : 检索结果文件,不指定则为当前目录下的 'ccdc_searcher.xml'
  
-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
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-help      : 帮助文件
  
-help      : Optional Argument - show usage and exit
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例:
 +
    ccdc_searcher.bat -query query1.xml
 +
    ccdc_searcher.bat -query D:\queries\query2.xml -results D:\results\results2.xml
 +
    ccdc_searcher.bat -query query1.xml -results results1.xml
  
ccdc_searcher.bat -query query1.xml
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==Linux 版==
  
ccdc_searcher.bat -query D:\queries\query2.xml -results D:\results\results2.xml
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安装方法[略]
  
==3 Linux 版下载安装==
+
检索方法:   
 +
    ./ccdc_searcher -query <XML query file path> [-results <XML results file path>] [-help]   
 +
参数同windows版本
  
Linux Version Instructions
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将目录加入环境变量的方法:
==========================
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     export PATH=<installdir>/bin:$PATH
 
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.
 

2022年9月14日 (三) 14:27的最新版本

利用CellCheckCSD 软件进行CCDC数据库的检索,查重的方法。

CellCheckCSD 软件

下载地址[1]

Winddows版

安装方法[略] 检索方法:

   ccdc_searcher.bat -query <XML query file path> [-results <XML results file path>] [-help]

-query : 检索文件,XML格式

-results : 检索结果文件,不指定则为当前目录下的 'ccdc_searcher.xml'

-help : 帮助文件

例:

   ccdc_searcher.bat -query query1.xml
   ccdc_searcher.bat -query D:\queries\query2.xml -results D:\results\results2.xml
   ccdc_searcher.bat -query query1.xml -results results1.xml

Linux 版

安装方法[略]

检索方法:

   ./ccdc_searcher -query <XML query file path> [-results <XML results file path>] [-help]    

参数同windows版本

将目录加入环境变量的方法:

    export PATH=<installdir>/bin:$PATH