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Figure 3
Examples of the different categories of false positives, where a water molecule was incorrectly labeled as a heavy atom by the SVM. (a) Site had little or no electron density; PDB entry 2vca, chain A, residue 2257. (b) Site is coordinated extraordinarily closely by neighboring atoms; PDB entry 3qlq, chain A, residue 266. (c) Site is coordinating a neighboring heavy atom; PDB entry 3qlq, chain A, residue 259. (d) Site has an ambiguous environment and could not be successfully identified; PDB entry 2xrm, chain A, residue 2024. (a) includes a gray mesh for the 2mFo − DFc density at 2.0σ. Colors, shapes and lines are as in Fig. 3[link].

Journal logoSTRUCTURAL
BIOLOGY
ISSN: 2059-7983
Volume 71| Part 5| May 2015| Pages 1147-1158
https://doi.org/10.1107/S1399004715004241
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