Structure

Molecular workspace

No structure loaded

Load a prepared PDB structure Local files remain in this browser.

Scientific setup

Define the study

Waiting for structure

Study name Property Redox state User decision Deployment

Calculation protocol Universal QM/MM protocol Property-aware study overlay

Residue search shells Inner

Outer

Exact settings will be recorded with the study.

QM region

User approval required

Chromophore-only QM region 0 additional heavy atoms

Include	Residue	Distance	Score	Evidence	Atoms

QM charge Multiplicity Boundary representation

User-facing agent

Load a prepared structure. I will identify FMN or FAD candidates and ask you to confirm the scientific decisions.

GPU submission requires an authenticated compute gateway. No browser job submission.