What’s new in SAMSON 2020 R3

The new SAMSON 2020 R3 release brings numerous new features and improvements throughout the core of SAMSON, so let’s dive right in! Cloud computing One of the most exciting features of SAMSON 2020 R3 is the introduction of cloud computing capabilities. In many design situations, a personal computer might have too little processing power to perform advanced calculations (e.g. high-throughput screening, some molecular dynamics simulations, etc.). In agreement with our vision of democratizing molecular design, we are introducing the possibility to…

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What’s new in SAMSON 2020 R2

The new SAMSON 2020 R2 release brings further improvements throughout the core of SAMSON: Custom color palettes Cumulative updates since SAMSON 2020 R1, including quick minimization, a new displacer editor, etc. Support for a new type of nodes, meshes, i.e. textured triangular surfaces. A variety of new features and fixes of reported issues. For developers: new functionality in the SAMSON API and a new module that allows you to view the functionality exposed by SAMSON Elements, which you can use in…

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What’s new in SAMSON 2020, the open molecular modeling platform?

To get SAMSON, sign up on SAMSON Connect (it’s free!) and download it now!   In line with our vision of a platform democratizing access to molecular modeling, SAMSON 2020 significantly improves the user experience and brings numerous, game-changing functionalities.   As easy as “ABC” We’ve wanted to offer this in SAMSON for years, and it’s finally here: a powerful yet easy-to-use Molecular builder. A is for “Atoms” and “Assets” Of course, we made it possible to build using individual atoms:…

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A new major release of SAMSON, the integrated platform for molecular modeling

We are excited to share a new major release of SAMSON, the integrated platform for molecular modeling. Here is a quick overview of the main novelties. A streamlined user interface We have completely redesigned SAMSON’s interface to make it easier to learn and use. Toolbars are gone, menu widgets are in: Easily find what you need The Search box on the top right of the menu bar lets you quickly find commands, editors and apps: Furthermore, menus, command groups and…

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Computing axes of symmetry of biological assemblies

Hi all, In this post we will focus on symmetry detection. The Symmetry Detection Extension computes the axes of symmetry of biological assemblies. Here with 1CHP, just start the Symmetry Detection App and compute the symmetry:   For large assemblies, automatic symmetry detection may detect several different symmetries. Click on the one that is interesting (typically the one with the higher order and a small RMSD) to visualize the axis. In this example, we use 1B4B which has a dihedral…

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Computing non-linear normal modes of biomolecules

Hello all, Welcome to this tutorial. Here, I will present you the functionalities of the Normal Modes Analysis Lite (NMAL) SAMSON Element. This SAMSON Element computes the nonlinear normal modes of a biomolecular system (protein, RNA, DNA) very quickly using the NOLB algorithm developed by Alexandre Hoffmann and Sergei Grudinin (J. Chem. Theory Comput., 2017, 13 (5), pp 2123-2134, DOI: 10.1021 / acs.jctc.7b00197.). First, you have to import a structure. For this tutorial I used the 1vpk PDB entry. Then, you launch the…

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Generating symmetry mates in SAMSON

PDB files often provide very interesting information on how proteins are organized in their crystal structure and biological assembly. Here we present a new SAMSON editor that will let you use this information in a few clicks. The Symmetry Mate Editor Extension helps to generate symmetric replicas of a protein based on the information contained in a PDB file. You can add the Symmetry Mate Editor Extension by clicking the ‘Add’ button. When this editor is selected, control nodes appear in…

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