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Article ID: 434 - Last Modified:

Is there a way to export pdb files that include the records HET, HETNAM, FORMUL from Maestro?

From Suite 2010 on, these records can be exported when converting a Maestro file to a PDB file from the command line provided that you use the component dictionary (-use_component_dict option to pdbconvert).

Maestro doesn't copy this information from the original PDB file since it would be difficult to determine how much of it still applies to the structure after some calculations or manipulations, and it doesn't maintain this information as properties.

Keywords: export PDB files, HET, HETNAM, FORMUL, SEQRES, CRYST1, records, Maestro

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