PDBQT = (Protein Data Bank, Partial Charge (Q), & Atom Type (T))
It will remove 1st and last line from the file and recreate the file in a new folder
The operation will be performed on all files that exist in the folder
Steps to Run:
- 1 => Copy Program into desired folder
- 2 => Run program by double click or by Enter Key on it
- 3 => Enter file extension .txt Or .pdbqt
- 4 => Press Enter to exit
What is the format of a PDBQT file?
AutoGrid 3 uses a PDBQS file for the receptor, which stores the atomic coordinates, partial charges and solvation parameters for all the atoms in the macromolecule. AutoDock 3 uses a PDBQ file for the ligand, which stores the atomic coordinates, partial charges and a description of the rigid and rotatable parts of the molecule.
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