Nextflow Modules
Showing module(s) with keyword "electrostatics"
| Module | Keywords | Description |
|---|---|---|
| nf-core/apbs | electrostatics poisson-boltzmann solvation structural-biology biophysics computational-chemistry | Compute biomolecular electrostatics by solving the Poisson-Boltzmann equation using APBS (Adaptive Poisson-Boltzmann Solver). Produces electrostatic potential maps and solvation energy values for large biomolecular assemblages. |
| nf-core/pdb2pqr | structure protein electrostatics pdb pqr | Convert PDB files to PQR format by assigning charge and radius parameters for electrostatics calculations (e.g. APBS input preparation). |