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Article ID: 140 - Last Modified:

How do I import structures to and from MOE?

MOE and Maestro share a number of file formats that can be used to exchange data between the applications, SD, MOL2, and PDB formats being the most obvious.

Care should be taken when transferring protein structures between the packages, as on occasion issues can arise with the naming conventions used for hydrogen atoms. Generally if you are importing a protein from MOE we would advise that you delete all of the hydrogen atoms once the protein is loaded in Maestro and re-prepare the structure using Maestro's Protein Preparation Wizard.

Keywords: MOE, data transfer, Maestro, import, export

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