Are the _grid.maegz and _rec.mae files written out by the Glide panel and IFD panel the same as the original input file for the receptor or do they contain additional information?

For IFD, the jobname_rec.mae file is simply the structure in the Maestro Workspace when setting up the job. For Glide Grid Generation, the 'jobname_grid.maegz structure also is taken from the Workspace, but if you pick a ligand in the Grid Generation setup, that molecule is removed from the structure prior to writing the file. The only additional job parameter information stored in the Grid Generation input structure file is an atom-level property indicating the rotatable hydroxyl groups, if that feature is used.

Keywords: Glide, IFD, receptor file

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