MD Evidence Format Compatibility Matrix

Validated and candidate topology/trajectory formats for MD Evidence.

Confirmed public-alpha compatibility now includes PSF + DCD, PDB + DCD, and GRO + XTC. Other formats remain candidate paths until validated through live gates.
GateTopologyTrajectoryStatus
Public AdK single-job gatePSFDCDPASS
Public AdK 5-job gatePSFDCDPASS
Public AdK 10-job gatePSFDCDPASS
Researcher-style browser upload gatePSFDCDPASS
PDB + DCD format compatibility gatePDBDCDPASS
GRO + XTC format compatibility gateGROXTCPASS

Confirmed paths

  • PSF + DCD
  • PDB + DCD
  • GRO + XTC
  • Metadata: JSON

Candidate paths not yet validated

  • PDB + XTC
  • PRMTOP + NetCDF
  • TPR + XTC/TRR
  • TRR trajectory path
  • Ligand systems
  • Membrane systems
  • Very large trajectories
  • Multipart upload above single-upload limit

Latest format gate

The GRO + XTC gate completed with 3/3 files, 0 failures, 100 frames, 3,341 atoms, 214 residues, and descriptive RMSD/RMSF/Rg summaries.

Scope notes

Format compatibility validates parsing and descriptive metrics only. It does not validate biological interpretation, regulated use, or downstream scientific conclusions, or regulated decision support.