electrostatics Goto Github PK

2017-apbs-paper

2017 APBS update paper

apbs

Software for biomolecular electrostatics and solvation calculations

apbs-aws

APBS in an AWS environment

apbs-etl

Refactor of PDB2PQR as an ETL program

apbs-pdb2pqr

APBS - software for biomolecular electrostatics and solvation

apbs-rest

Web server and RESTful backend services for APBS and PDB2PQR

apbs-web

APBS web interface

apbs_sphinx

APBS Rewrite

cache

Cache for prebuilt packages

electrostatics.github.io

APBS & PDB2PQR - software for biomolecular electrostatics and solvation

fetk

Fork of the Finite Element ToolKit from fetk.org.

geoflow_c

geoflow_fortran

Fortran implementation of the Geometric Flow Solvation Model

gibs

GIBS: Grand Canonical Monte Carlo (GCMC) simulation program for simulating ion-biomolecule interactions with molecular solvent models

go2pdb

Extract PDB entries annotated with specific GO codes

graphcut

Sandbox for experimental graph cut code to replace Monte Carlo in PDB2PKA.

metis-fork

A fork of the METIS code from the Karypis group.

mmcif_pdbx

Yet another version of PDBx/mmCIF Python implementation

mpbec

multigrid

The new home of the APBS multigrid solver.

old_pdb

Reading and writing old-format PDB data

osmolytes

This code attempts to predict the influence of osmolytes on protein stability

pb-am-deprecated

Poisson-Boltzmann Analytical Method

pb-sam-deprecated

Poisson-Boltzmann Semi-Analytical Method

pb_solvers

Analytic and Semi-Analytic solvers for Poisson-Boltzmann equations

pdb2cif

Convert between PDB and CIF formats

pdb2pqr

PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.

pdb2pqr_flask

Trying to bring the PDB2PQR web server into the 21st century

propka-3.1

PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.

pygbe

Python GPU Boundary Element Solver for APBS