Iterative Assembly:
Iterative Assembly is one of the key strategies used in the DEMO-EMol method. The process begins by selecting chain models with a density correlation coefficient score (DCS) below a specified cutoff during the first iteration. Models exceeding this cutoff undergo further iterative matching with the density map by gradually increasing the cutoff. For models with a DCS still greater than the final cutoff, they are directly fitted into the density map in ascending order of their DCS, without applying the cutoff constraint.
NOTE: This strategy is enabled by default in DEMO-EMol. Disabling it may reduce modeling accuracy but can shorten the runtime.
We strongly recommend users to keep this strategy enabled for optimal model by DEMO-EMol.
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