HOMAcalc is a Python program for calculating HOMA value of ring system.
Homepage https://www.wangzhe95.net/program-homacalc
First released at 2021-05-25.
Author: Zhe Wang
ORCiD: 0000-0002-9996-586X
HOMAcalc can calculate HOMA value of heterocyclic compounds now!
- User can choose to continue the calculation after the first HOMA calculation.
- Bugs fix.
First pre-release of HOMAcalc.
Python source code is provided, if your computer already installed Python IDE, you can run HOMAcalc with:
For macOS/Linux: python3 HOMAcalc_vxx_source.py
For Windows: py HOMAcalc_vxx_source.py
Executable files for macOS/Linux/Windows are in execufiles.zip.
NOTICE: Python 3.9 or newer is recommended.
- Double click the executable file HOMAcalc_vxx_mac.
- Package with source code. If for some reason the (1) could not work, you can package HOMAcalc by yourself. For more information, please check the manual.
Before running for the first time, you may need to add permission by:
chmod +x ./path_to_HOMAcalc/HOMAcalc_vxx_linux
Add following command to environmental variables (for bash):
alias homacalc=./path_to_HOMAcalc/HOMAcalc_vxx_linux
and you can run ICSSgen by homacalc.
Executable file HOMAcalc_vxx_win.exe has been provided, double click to run it.
If you found any bugs, please contact me (wongzit@yahoo.co.jp).
More information about me, please check my personal website.
Hope you enjoy this program!