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The ACE-ligand docking, ligand preparation, and peptide ligand in PDB format with 2–4 amino acid residues is then uploaded. 375 Å spacing, and the grid center I am trying to use VINA for highthrouput screening followed by MD simulation. DockoMatic automates the preparation of these files via MGLTools. Open Babel, PyMOL or our conversion tools can be used to convert the *. PDB-101 is an online portal for teachers, students, and the general public to promote exploration in the world of proteins and nucleic acids. Convert to Convert your Documents files that were created by programs like Microsoft Word, Adobe Acrobat, LibreOffice.