Arthor Documentation for Future Developer

From DISI
Revision as of 23:00, 16 December 2019 by Jyoung (talk | contribs)
Jump to navigation Jump to search

Written by Jennifer Young on December 16, 2019

Install and Set Up on TomCat

Arthor currently runs on n-1-136, which runs CentOS Linux release 7.7.1908 (Core). You can check the version of CentOS with the following command 

    cat /etc/centos-release

Check your current version of Java with the following command: 

   java -version

On n-1-136 we are running openjdk version "1.8.0_222", OpenJDK Runtime Environment (build 1.8.0_222-b10), and OpenJDK 64-Bit Server VM (build 25.222-b10, mixed mode) If Java is not installed, install it using yum

I followed this link to install TomCat on CentOS 7 https://linuxize.com/post/how-to-install-tomcat-9-on-centos-7/

Open port for Arthor

In order for Arthor to be usable in the browser, the port you wish to run it on must be opened. https://www.thegeekdiary.com/how-to-open-a-ports-in-centos-rhel-7/

Setting environment variables for TomCat Server

Set the environment variables in the setenv.sh file. Note: Be sure to edit the file in the directory corresponding to the latest version of TomCat. As of December 2019, we are running 9.0.27 on n-1-136. 

  vim  /opt/tomcat/apache-tomcat-9.0.27/bin/setenv.sh

Add the line below to the setenv.sh file above, or substitute the path to wherever you currently store the arthor.cfg file 

  export ARTHOR_CONFIG=/usr/local/tomcat/arthor.cfg

Here is an example of the arthor.cfg file: 

   # Arthor generated config file
   BINDIR=/opt/nextmove/arthor/arthor-2.1.2-centos7/bin
   DATADIR=/usr/local/tomcat/arthor_data
   STAGEDIR=/usr/local/arthor_data/stage
   NTHREADS=64 . 
   NODEAFFINITY=true
   SearchAsYouDraw=true
  AutomaticIndex=true
  DEPICTION=./depict/bot/svg?w=%w&h=%h&svgunits=px&smi=%s&zoom=0.8&sma=%m&smalim=1
  RESOLVER=

Important parts of the arthor.cfg file BINDIR is the location of the Arthor command line binaries. These are used to generate the Arthor index files and to perform searches directly on n-1-136. An example of this would be using atdbgrep for substructure search.

DATADIR This is the directory where the Arthor data files live.

Set AutomaticIndex to false if you don't want new smiles files added to the data directory to be indexed automatically

Retrieved from "http://wiki.docking.org/index.php?title=Arthor_Documentation_for_Future_Developer&oldid=12184"