“CCDC检索方法”的版本间的差异

来自化工学习站
跳到导航 跳到搜索
第1行: 第1行:
 
CCDC的软件检索方法
 
CCDC的软件检索方法
  
==1 CellCheckCSD==
+
==CellCheckCSD 软件==
下载地址[https://ccdc.cam.ac.uk/Community/csd-community/CellCheckCSD/]
+
 
 +
    下载地址[https://ccdc.cam.ac.uk/Community/csd-community/CellCheckCSD/]
 
   
 
   
==2 Winddows版安装[略]==
+
==Winddows版==
 
+
    安装方法[略]
===以windows版为例进行检索===
+
 
 +
    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      : Required Argument - the full path to the XML query file to search for
+
    -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'
  
-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      : 帮助文件
  
-help      : Optional Argument - show usage and exit
+
    例:
  
ccdc_searcher.bat -query query1.xml
+
    ccdc_searcher.bat -query query1.xml
  
ccdc_searcher.bat -query D:\queries\query2.xml -results D:\results\results2.xml
+
    ccdc_searcher.bat -query D:\queries\query2.xml -results D:\results\results2.xml
  
==3 Linux 版下载安装==
+
==Linux ==
  
Linux Version Instructions
+
    安装方法[]
==========================
 
 
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:
+
    检索方法:
=========
+
   
./ccdc_searcher -query query1.xml
+
    ./ccdc_searcher -query <XML query file path> [-results <XML results file path>] [-help]
./ccdc_searcher -query /queries/query2.xml -results /results/results2.xml
+
   
 +
    参数同windows版本
  
Making CellCheck CSD Available Globally
+
    将目录加入环境变量的方法:
=======================================
+
    export PATH=<installdir>/bin:$PATH
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2日 (五) 14:35的版本

CCDC的软件检索方法

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

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