G:/Supplementary material for PM6-ORG/Compare PM6-ORG and PDB protein geometries/Compare (all) Crambin

Compare "Crambin (4FC1) PM6-ORG geometry.arc" and "Crambin (4FC1) PDB geometry.arc"

Date:     Jul 12 2023 10:02
No. atoms:      768
Formula:     C202H399N55O106S6
GEO_DAT:      -6493.925 kcal/mol
GEO_REF:      -6122.988 kcal/mol
RMSD: 1.248Å Diff: 810.837Å
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