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Input and Output Structures Process (1) (1-1) (1-2) (1-3) (2) (3) (3-1) Input Nonea None or Stored Initial None Starting Optimized Optimized Output Starting Initial Starting Stored Optimized None/Optimized Stored a At the beginning, no input structure exists in the conformation storage. Customizing The structures used in each process are: Understanding Basics Tutorials Introduction Understanding CONFLEX The lowest-energy structure of the unused, stored conformers is chosen as the initial structure (a structure is considered to be unused if it has never been perturbed to generate a starting structure). This strategy is important to search through the region in the conformational space, in the most efficient way towards a lower BioMedCAChe User Guide 20-25 Appendices Generation of starting structure
