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Figure 2 | Journal of Cheminformatics

Figure 2

From: Confab - Systematic generation of diverse low-energy conformers

Figure 2

An example diversity tree used to filter conformations on-the-fly. (a) A diversity tree containing five conformations (A to E) used to filter conformations with an RMSD of less than 1.6 Å to one of the stored conformations. (b) The same diversity tree after addition of conformer H, where H is within 3.0 Å of A but not within 2.0 Å of A, C or D.

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