Software for constructing initial configurations for Molecular Dynamics
Simulations based on packing optimization.
A package to study the structure of solutions of complex solutes and solvents.
CellListMap.jl is a general, efficient and customizable implementation of cell lists,
which allows the computation of general properties dependent on distances of particles
within a cutoff, for example short-range potentials, forces, neighbour lists, etc.
Software for the evaluation of structural models using chemical
crosslinking mass spectrometry data.
A Julia package to manipulate PDB files.
Performs customizable rigid-body structural alignment using convergent
algorithms based on Low-Order-Value-Optimization theory.
Robust alignment method for the automatic classification of conserved
and flexible substructures in MD simulations.
A suite of fortran codes to perform analyses of MD simulations performed
mostly with NAMD or CHARMM.
This is a collection of scripts to run the Anisotropic Thermal Difusion method,
as described in this paper.[Home-Page]
Peforms linear fitting of perhaps multidimensional data with the automatic elimination
Some utility programs to analyze data. And the script coding the
pathdriven method of SMD with variable directions.