Hi,
I want to perform a virtual screening of 45 compounds.
In normal docking of one compound, we define name in the configuration file but how can I write names of these 45 compounds in the same configuration file?
Thanks in advance!
User Changed status to publish November 23, 2024
The ligand names for virtual screening are defined in a separate file, for example, ligands.txt.
No ligand name is defined within the configuration file of virtual screening.
Follow this tutorial: https://bioinformaticsreview.com/20200410/how-to-perform-virtual-screening-using-autodock-vina/
User Changed status to publish November 23, 2024