saving PDB files of complexes in Autodock
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Dear @sudhir ,
If you want to save the whole document, in the latest version of SAMSON, you go to Home > Save or just press Ctrl + S, then you choose the PDB format.
If you want to save only some molecules, you select them, and in the latest version of SAMSON you use Selection > Save selection as.
For some particular ways of exporting structures into PDB files you can also use Export Along Paths Element (see the Export atoms trajectories along paths tutorial)
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Hi Sudhir, could you please tell us what you mean by "complex"? Do you mean one pdb file? multiple pdb files? In the results of AutoDock, you can activate a docking conformation by double-clicking it. Then, you select the structural models you want to save (e.g. the protein and the ligand), and you use Selection > Save selection as.
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Hi Sudhir, could you please tell us what you mean by "complex"? Do you mean one pdb file? multiple pdb files? In the results of AutoDock, you can activate a docking conformation by double-clicking it. Then, you select the structural models you want to save (e.g. the protein and the ligand), and you use Selection > Save selection as.
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