High Performance Collision Cross Section Calculation – HPCCS
High Performance Collision Cross Section Calculation – HPCCS The High Performance Collision Cross Section (HPCCS)...
BioNetComp: a Python package for biological network development and comparison
BioNetComp compares two biologial networks from a list of genes/proteins. It provides both an easy-to-use...
IIS – Integrated Interactome System
A Web-Based Platform for the Annotation, Analysis and Visualization of Protein-Metabolite-Gene-Drug Interactions by Integrating a...
MDLovoFit: Automatic identification of mobile and rigid substructure in protein dynamics
MDLovoFit is a package for the analysis of the mobility and structural fluctuation in Molecular...
ComplexMixtures.jl: A package to study the structure of solutions formed by solutes and solvents of complex molecular shapes.
ComplexMixtures is a Julia package to study the solute and solvent interactions of mixtures of...
FluidFreeEnergyforLAMMPS: Nonequilibrium Free-Energy Calculations of Fluids using LAMMPS
Scripts that allows to perform nonequilibrium free-energy calculations of fluid-phase systems using LAMMPS code. Details...
LovoAlign: General molecular structural alignment package
LovoAlign is a new protein structural alignment package. The methods used for structural alignment are...
OmpCloud: Programming Cloud Clusters with OpenMP
OmpCloud is a toolset that allows you to use the cloud as an OpenMP offloading...
TopoLink: A package to evaluate structural models using chemical crosslinking distance constraints.
TOPOLINK is a package to compute topological distances between atoms on the surface of proteins...
Cellulose-builder: a toolkit for building crystalline structures of cellulose
Cellulose-builder is a user-friendly program that builds crystalline structures of cellulose of different sizes and...
Packmol: A package to build initial configurations for molecular dynamics simulations
PACKMOL creates an initial point for molecular dynamics simulations by packing molecules in defined regions...
PGA: a Polyploid Gene Assembler
PGA was developed using PERL scripts for running in Linux system and integrates various software...