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What structure file formats can be used with the MacroModel package?

April 26, 2017file formats macromodel package structure Used

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What structure file formats can be used with the MacroModel package?

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MacroModel itself reads Maestro (.mae) and MacroModel (.dat) structure files. The Maestro interface has the ability to read and write files in the following formats: • MacroModel* • Maestro* • PDB* • Sybyl Mol2* • MDL SD (.mol)* • Jaguar input and output • MCPRO+ input (.zmat) • Many formats supported by Babel Additional utilities supplied with all Schrödinger products can be used for conversion of the asterisked formats. Schrödinger’s product, LigPrep, may be useful in preparing ligand structures, including converting 2D structures to 3D structures, for further processing by other Schrödinger products.