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=== Incomplete Residues === Electrostatics should be analyzed on a complete molecule without missing sidechains, and ideally without missing loops. '''pdb2pqr''' will automatically model up to 10% of missing sidechain atoms. If your structure is incomplete, consider creating a homology model first using a tool of your choice (e.g. [https://salilab.org/modeller/ MODELLER]). Some truncated PDB files include a single backbone atom of the next residue, e.g. [https://www.rcsb.org/structure/2xwu 2xwu] chain B residue 954 atom N. '''pdb2pqr''' reports: <blockquote> ''Error encountered: Too few atoms present to reconstruct or cap residue LEU B 954 in structure!'' </blockquote> The easiest solution is to remove that atom: remove /2xwu//B/954
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