USalign

secondsPaperCodeProduction Ready

Structurally align proteins and nucleic acids

Readiness

Readiness: Production Ready
Smoke: passed
Artifacts: passed
Production: production_pass
Storage: <5
Strategy: compiled/binary SIF or shared python312_slim + ext3 overlay
Next: Production Ready. Optional hardening: add a larger structural benchmark and expose USalign mode/superposition controls in the UI.

USalign source cloned from pylelab/USalign rev 177cc8a2bbd3e2a6e9c5faaaa4ff5dfa1e6048f7; compiled native binary under shared storage. Slurm job 402 aligned two four-residue PDBs and produced RMSD=0.00 plus TM-score=1.00000; artifacts include input PDBs, usalign.txt, summary.json, and Slurm stdout/stderr. Earlier job 400 correctly failed because the first two-residue test PDB was too short. 2026-07-05 production evidence: deployed real runner adapter and corrected backend binary lookup to /media/nik/seagate_nik/bio_server/tools/usalign/bin/USalign. Runner API remote id 782eaa25fd6c submitted Slurm job 416 via /v1/jobs. Job completed with artifacts input_1.pdb, input_2.pdb, job.log, results.csv, summary.json, usalign.txt, usalign.stderr, slurm.out, and slurm.err. Four-residue identical PDB benchmark produced aligned_length 4.0, RMSD 0.0, and TM-scores 1.0/1.0.