Bio Mega Server

Dashboard Workspace Tools Jobs

GPU backend: Boltz-2 submits through the Slurm/Singularity runner adapter. Other tools stay visible until their adapters are configured.

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Utilities & Conversions

PDB2PQR (from NS)

secondsPaperCodeProduction Ready

PDB2PQR converts PDB files to PQR format, adding missing atoms and assigning charges for electrostatics calculations.

Details Paper Code

Job Name

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EXAMPLES

PDB File *pHForce FieldSettings JSON

Source: NeuroSnap.

Readiness

Readiness: Production Ready
Smoke: passed
Artifacts: passed
Production: ready
Storage: <5
Strategy: installed on Ubuntu backend via apt/venv; Slurm CPU adapter configured
Next: Ready for user-facing frontend submission; expand benchmark set before public production release.

Installed Ubuntu pdb2pqr 3.6.1; Slurm smoke job 207 completed in 0.208 s and produced converted.pqr.

ClusterProt (from NS)

Cluster same length proteins using only their structures.

Utilities & Conversions

PDB Animator (from NS)

Render animated GIF and MP4 files from multi-model PDB structures.

Utilities & Conversions

PDBFixer (from NS)

Fix common issues with PDB files such as missing atoms.

Utilities & Conversions

PDB-mmCIF Converter (from NS)

Converts PDB files to CIF / mmCIF files and vice versa

Utilities & Conversions

Chain Exporter (from NS)

Split one structure into separate chain-level PDB or mmCIF files.

Utilities & Conversions