pdbtop¶
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Introduction¶
pdbtop is a light-weighted but powerful program for preparing biomolecules and ligands for computational chemical simulations (including MM and QM/MM). Given the PDB or XYZ coordinates, pdbtop can do the following with just a few commands:
Add missing atoms
Generate topology for biological systems (including protein, nucleic acid)
Generate topology and parameters for ligands (including small organic molecules, organometallics, and metal ions)
Building solvation box and adding counter ions
Perform modifications and mutations on the structure
Would like to download pdbtop? Click Download Current Release!
Would like to use pdbtop? Click pdbtop Manual!
Download Current Release¶
Released on: Apr. 2, 2025
