Collecting tool of Autodock vina data
This is a tool that helps to collect Autodock vina results when screening protein-ligands following the tutorial uploaded by Bioinformatics With BB (https://www.youtube.com/user/jaannawaz2007/about)
Tutorials: https://youtu.be/tFFxNTvvoJI & https://youtu.be/7YTzG2PtzlE
I found it hard to include all the screening data in a CSV file and time-consuming when I tried to copy all the interested results to Pymol.
This tool provides two functions, first, collect the results of the smallest binding energy of all log files, while also linking the ZINC IDs; second, recognize the top(%) results and copy the pdbqt files to the R folder.
How to use: Change the variables and run all codes.
20210813 uploaded
20210820 Adding a variable of ligand numbers
For further questions or advices, contact ttsunglin@gmail.com