LigBuilder V3 is written in C++ language and has been tested on LINUX platforms.
Program dependency:
Please install OpenBabel version 2.3.0 or later first, and make sure the path of babel was added to the system executive path. OpenBabel is not an essential part of the design process, but four functions will be affected if OpenBabel was absence. (Automatic mode, 2D-Clustering, Clustering Reporter, Synthesis Reporter)
Click here to go to OpenBabel website.
Environment Setting:
Add following line into ~/.bashrc or ~/.cshrc or ~/.tcshrc.(According to you shell)
ulimit -s unlimited
(As the program will call the "babel" and "obabel" directly, please also add the path of OpenBabel to the enviroment variable if "babel" is not executable in the working directory. This step could be skipped if the OpenBabel is installed with root permission.)
NOTICE: This would NOT take effect in shells opened so far.
Please relogin current shell before next step.
Installation of LigBuilder V3:
Unpack the package in a LINUX shell like this:
tar -xvf LigBuilderV3.tar.gz
Try to relinking the binary:
cd LigBuilderV3
./configure
Now a directory named "LigBuilderV3" has been created in your working directory. Under that directory, there are following subdirectories:
LigBuilder V3 has two executive modules, i.e. Cavity(LigBuilderV3/bin/cavity), Build(LigBuilderV3/bin/build).
Now LigBuilder V3 is ready, Good luck!
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(These web pages are edited by Yaxia Yuan. Latest update: Jan., 2021)