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Section System::Coordinates
Type string

If this variable is present, the program tries to read the atomic coordinates from the file specified by its value. The PDB (Protein Data Bank) format is quite complicated, and it goes well beyond the scope of this manual. You can find a comprehensive description here. From the plethora of instructions defined in the PDB standard, Octopus only reads two, ATOM and HETATOM. From these fields, it reads:

NOTE: The coordinates are treated in the units specified by Units and/or UnitsInput.

Source information

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