Hello!
Since the latest version of Autodock Vina does not support the generation of the log files, I am finding it very difficult to perform virtual screening of multiple ligands with a single protein. Therefore, I was hoping, if there is any script preferably in linux (as I am performing VS in a linux system) to compile all the *out.pdbqt files with their binding modes, affinities, and rmsd values in one excel sheet for better understanding? Please help me solve this issue...
For instance, i have provided a 119_out.pdbqt file (119 is ligand ID). And a similar kind of .csv file (log.csv) that I want which I have generated using PyRx. (I have tried using PyRX, however, it only takes out.pdbqt files one at a time only. I have 800+ ligands output files, i do not have enough time to load each of these one at a time.)
Please, help me find a suitable command preferably on Linux to solve this issue.
Thank you!
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