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march_happy
march_happy

How could I match atom orders between a .mol2 and a .pdb?

When I was drawing conformation of Autodock result, I noticed that Autodock generated pdbqt from dlg has some structural problem (e.g. Benzene ring missing), and wants to correct this. However I noticed that the atom order of pdbqt doesn't match with the original mol2's, and caused some problems when I tried to fix.

So how could I reorder pdbqt according to mol2's atom coordinate?