mfsig.com · 3D viewer
Open a .mfsig.json, see the molecule
samples
assembled · dimer· B3LYP/def2-SVP + D3BJ · BSSE-corrected · ΔE in kcal/mol
ASD · drug × polymer· Flory-Huggins χ at 298 K · ΔE in kcal/mol
no data loaded
σ-profile · 51-bin histogram
e / Ųσ-charge density on the COSMO cavity, weighted by tile area. Left lobe = donor surface (H-bond donors), right lobe = acceptor surface (H-bond acceptors), centre lobe = apolar. Integrates to the total cavity area (Ų).
Download · convert
Conversion is client-side and lossy by design. The .mfsig.json is the canonical signed file — everything else is a derived format for external tools.
Reading the canvas
- donor · −σ tile · H-bond donor surface
- apolar · |σ| < HB cutoff (0.0084 e/Ų)
- acceptor · +σ tile · H-bond acceptor surface
Confidence legend
HIGH · gate-checked MED · known systematic limit LOW · research only
Audit pack · the engine
21 CFR Part 11 · ALCOA-compatible · tamper-evidentSHA-256 checksum
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UUID
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timestamp · UTC
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engine
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Method · what produced this file
—DFT
functional
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basis set
D3BJ
dispersion
Bondi
cavity radii
water
solvent
NaN
dielectric ε
vdW
cavity model
relaxed‖∇E‖<1e-3
geometry