Arthor Documentation for Future Developer
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
Check your current version of Java with the following command:
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/
How to run standalone Arthor instance
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.
Add the line below to the setenv.sh file above, or substitute the path to wherever you currently store the arthor.cfg file
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. Location where the index files will be created and loaded from.
STAGEDIR Location where the index files will be built before being moved into the DATADIR.
NTHREADS The number of threads to use for both ATDB and ATFP searches
Set AutomaticIndex to false if you don't want new smiles files added to the data directory to be indexed automatically