Analyzed about 4 hours ago
Force Field X (FFX) is a group of open source (GPL v. 3 with Linking Exception), platform independent modules for molecular biophysics. Key methods include:
1) Atomic Multipole Optimized Energetics for Biomolecular Applications (AMOEBA) force fields
2) Particle-mesh Ewald (PME) electrostatics with
... [More]
support for space group symmetry
3) Generalized Kirkwood continuum electrostatics
4) Single and Dual-Topology Orthogonal Space Random Walk (OSRW) free energy methods
5) L-BFGS, Simulated Annealing and Dead-End Elimination optimization algorithms
6) Reciprocal space refinement for X-ray and Neutron Diffraction data sets
7) Real space refinement for X-ray Diffraction, Neutron Diffraction and CryoEM data sets
8) Shared memory, cluster parallel and coprocessor based parallelization strategies [Less]
368K
lines of code
9
current contributors
6 days
since last commit
1
users on Open Hub
