Mutant Simulation Data

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This folder contains the raw data in .sim format, the starting scene, the pKa values used by the forcefield, and the .tab files from each analysis macro. | File Type | Compatible Software | | --------- | ------------------- | | .tab | Most spreadsheet programs (Ex. Excel or Sheets) | | .sim |YASARA Dynamics (or higher) with the AMBER14 Forcefield | | .sce | YASARA | |.yob | YASARA | | .pdb | Any program appropriate for viewing .pdb files (Ex. YASARA or pyMol) |

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