Dock libraries of ligands into proteins and rank them with AutoDock Vina.

Prepare, minimize, equilibrate, and simulate systems using GROMACS.

Predict mechanisms of toxic action of molecules.

Construct transition metal dichalcogenide monolayers from experimental images.

Visualize, build and simulate in virtual reality.

Simulate with an adaptive version of the Lennard-Jones potential.

Adenita is a toolkit for the modeling and visualization of DNA Nanostructures.

Generate paths between two protein conformations within a few seconds thanks to ARAP interpolation.

Select atoms based on expressions with NSL-like variables, standard mathematical and logical operations.

Dock libraries of ligands into proteins and rank them with AutoDock Vina.

Compute the bond angle distribution of the selected atoms.

Visualize the angle, bond, and projected bond distortions of a molecular or crystalic structure.

Perform interactive simulations of carbon nanotubes, graphene and hydrocarbon systems. Build complex geometries thanks to this reactive force field.

A game where you build optimal assemblies of interacting atoms.

Compute low-energy conformers of small molecules.

Generate crystal models in a few clicks. Describe unit cells, import CIF files, model defects and impurities. Cut crystals.

A game where you search and build molecules.

Equidistant Uniform Rigid-body Ensemble CONstructor. Here we presented a fast algorithm for the construction of rigid-body conformational ensembles, ...

Export atoms along paths in PDB files.

View the exposed functionality of SAMSON Elements

Optimize molecular structures with FIRE.

Build a graphene model from a TEM image

Create a graphene sheet in one click.

Perform interactive simulations with GROMACS force fields.

Prepare, minimize, equilibrate, and simulate systems using GROMACS.

Importer for gzipped (.gz) files of already supported formats (e.g., .pdb.gz).

Find and visualize hydrogen bonds.

Simulate molecular systems using this generalized, Interactive-Modeling version of the Universal Force Field capable of with automatic bond creation a...

Display Ramachandran diagram of selected residues. Move a residue on the plot and see the effect it has on the protein.

Predict mechanisms of toxic action of molecules.

The Lennard-Jones interaction model.

Find ligand unbinding pathways from a protein within minutes.

Find ligand unbinding pathways within minutes with the new ART-RRT method.

Want to check logs and output? This Element redirects C/C++ standard streams and Qt messages.

Importer for the macromolecular transmission format (MMTF) files (*.mmtf).

Create a carbon nanotube in just two clicks.

Compute nonlinear normal modes that open and close binding pockets of proteins.

Compute the nonlinear normal modes of a molecular system (protein, RNA, DNA) very quickly using the NOLB algorithm developed by Alexandre Hoffmann and...

Import OBJ files into SAMSON.

Use a parallel implementation of the nudged elastic band (NEB) method to find saddle points and minimum-energy paths.

Visualize paths of a set of atoms.

Create a trajectory (path) based on a series of PDB files.

[Beta] Importer for the PDBx/mmCIF file format.

Rapidly compute small-angle X-ray scattering profiles.

Move the camera in orbit or FPS mode with your feet

Visualize MOFs and crystals with Polyhedrons

Align multiple sequence (based on the MUSCLE software) and structures.

Fetch molecular structures from the RCSB Protein Data Bank (PDB).

Find protein conformational transition paths within minutes.

Find protein conformational transition paths within minutes with the newly developed ART-RRT method.

Script everything. Access the SAMSON API through Python. Model and simulate from scripts. Pipeline calculations. Integrate other Python packages.

Modify an amino acid residue into its rotamer or mutate it into an amino acid residue of a different type.

Want to create a SAMSON Element? Easily generate an empty SAMSON Element from a template and start developing.

Package and validate a SAMSON Element you developed for further publishing on samson-connect.net.

Generate UUID directly from SAMSON in one click.

Basic geometry and concentration statistics for the selected atoms.

Modify atoms' parameters (position, selection, etc) using a simple scripting language, NSL-like variables, mathematical and logical operations.

Import thousands of SMILES codes. Filter them using custom patterns. Modify them and generate their corresponding 2D image. Add them to the SAMSON Doc...

Import Stereolithography (.stl) binary and ASCII files. Visualize them. Generate carbon atoms based on stl files to create quickly new original atomic...

Validate biological structures

Detect axes of cyclic, dihedral and cubic symmetries in protein complexes.

Interactively generate symmetry mates of a protein based on the crystallographic information from a pdb file.

Construct transition metal dichalcogenide monolayers from experimental images.

Visualize, build and simulate in virtual reality.