The ConGENER software generates and characterizes molecular libraries through combinatorial techniques, providing a useful tool for chemical research.
Moreover, ConGENER has been crafted using standard C++, and requires the g++ compiler. Instillation is smooth and easy, simply input "g++ congener.cpp -o congener" after ensuring that you have met the requirements. Once installed, users run the software through the "congener" binary.
The program takes shape in interactive mode where the software prompts users with several questions regarding the geometry and isomer space expansions they want. If you need to run multiple jobs or restart with ease, all the answers can be combined into one input file as well. Additionally, ConGENER provides a passive mode where users can read input files by running "./congener < input_file".
The software comes with thorough documentation on how to prepare the input data, so you can be confident handling ConGENER. All things considered, this program is a must-have for anyone seeking to generate and characterize molecular libraries containing substitution isomers.
Version 1.0: N/A