SURFMAP

New1-5 minutesPaperCodeProduction Ready

2D projection of protein surface features

Readiness

Readiness: Production Ready
Smoke: passed
Artifacts: passed
Production: production_ready_matrix_mode
Storage: <5
Strategy: shared python312_slim.sif + tool ext3 overlay
Next: Use validated matrix projection mode; add full PDB/MSMS/APBS workflows only after licensing/runtime needs are reviewed.

Production evidence 2026-07-01: source https://github.com/i2bc/SURFMAP revision df8d88dd7463cd2e7d144a3d7ca3a0e2fc9c4004 staged at /media/nik/seagate_nik/bio_server/tools/surfmap. Python 3.12 install failed due freesasa 2.1.0 longintrepr.h incompatibility, so production uses micromamba Python 3.9 env /home/nik/bio_server_venvs/surfmap_py39 plus user R library /home/nik/bio_server_r_libs/surfmap. Real Slurm validation 326 produced 1g3n_A_stickiness_map.png and smoothed matrix. Real API runner job remote 3cc5047c7649, Slurm 330 on cpu completed. Runtime 0.845s. Downloadable artifacts include top-level PNG map, smoothed matrix, results.csv, summary.json, logs, stdout/stderr and slurm logs. Caveat: validated mode is precomputed matrix projection; full PDB/MSMS/APBS electrostatics workflow not yet validated.