oh you're right there is a 100 coefficient, it's giving me the coordinate in pm. Didn't think about that. thank you very much.

Good luck @Laëtitia ! You can check https://github.com/1A-OneAngstrom/SAMSON-Developer-Tutorials/tree/develop for some SAMSON Elements Samples. We will be adding more soon. Feel free to ask questions!

Dear Stephane, Thanks for the quick reply. I will add the position in three attributes for now. Looking forward to 0.8.0!

Dear Dimitriy, Thank you very much. Best Regards, Surendra

Great! You can check the tutorial on building a SAMSON Element on Linux. Feel free to ask questions if you experience any problems! Best, Dmitriy Marin

It seems it works. Thanks.

Perfect thanks.

I thought I did but you're right now it's fine. Thanks!

Dear Camps, I thought I'd clarify what's going on with Brenner and ASED-MO. While SAMSON and numerous SAMSON Elements are and will remain free forever, both for academia and industry, some SAMSON Elements will now have a commercial license (for industry and / or academia). In effect, SAMSON Connect is becoming a marketplace for molecular modeling, where developers have the possibility to integrate and commercialize their tools (think App store for molecular modeling, except everything is integrated into a single, universal platform which makes it possible to combine modules together and gives new possibilities). Our goal is to contribute to the development of an integrated ecosystem for molecular modeling, where users can install tools in a few clicks, have them all integrated in the same platform, are able to combine them, pipeline them, etc. Since SAMSON has an open architecture, and the SAMSON API makes it possible for anyone to integrate existing tools, create new ones from scratch, develop new force fields, create new visualizations, etc., you can imagine the huge possibilities the SAMSON model gives. As with other marketplaces (iOS, Android, etc.), many SAMSON Elements are and will continue to be free, and new free SAMSON Elements will continue to be published. However, our goal with this hybrid economic model is to reach the best of both worlds: serve the molecular modeling community while supporting the development of the best possible platform. At the moment, anyone can get a free month of some commercial SAMSON Elements (including Brenner) by answering the short survey at https://forms.office.com/Pages/ResponsePage.aspx?id=Cg7MSY8KzkinPF492orBMZM0kpSnVmtKp3madpYYjexUQ0c5V1Q3VUEwVEtHQlhSWVVJRUFGN1lVQy4u. At the end of the survey, they can choose which SAMSON Element they want among: Brenner interaction model (interactive simulation for carbon nanotubes, graphene, etc.) Crystal creator (build complex crystals structures) Normal modes advanced (non-linear normal modes analysis for proteins binding sites) and we'll add it to their account (registering is and will always be free, and SAMSON itself will always be free). Best, Stephane

Sorry for the issue!

Hi Arnaud, thanks for your interest in SAMSON and sorry about this crash. We are not able to reproduce it here. Could you please try to remove the GROMACS element and add it again as follows: Sign in on SAMSON Connect, you will arrive in My SAMSON / My Elements On the SAMSON Element called "GROMACS interaction models", you should see an "Installed" button. When you hover the mouse over it, the button turns to "Remove". Click on it. Restart SAMSON, this will uninstall the GROMACS element. Quit SAMSON. On SAMSON Connect, the button mentioned above should turn to "Add again" (this might take a minute). Click on it. It should turn to "Pending". Restart SAMSON, this will install the GROMACS element. Please let me know if this helps. Academic accounts are the ones with academic email addresses. Is it possible for you to sign up with one?

@Andrii It can be done from the code. For now, we do not have docs/help web-pages for each of the SAMSON Elements, but it is in our plans to have them generated automatically for the exposed functionality. To get UUID and the class name of an Element from which you want to use functionality, you can open the Log (Edit menu -> Show log), then you can search for the Element and check its UUID and the class name: [image: 0_1541585623122_LogViewer-CheckUUIDAndNameOfSAMSONElement.png] Now, in your code, you can do the following to print the exposed functionality of the Element: // Create a class proxy SBProxy* classProxy = SAMSON::getProxy("PDBDownload", SBUUID("6F5D45C5-E76E-CDC8-52D5-D2821C128BE8")); // Print class constructors classProxy->print(); // Prints the interface classProxy->getInterface()->print(); It will print the exposed functionality (constructor factory, interface functions, attributes) in the terminal (std::cout stream), like this: Class proxy: Name :PDBDownload UUID :23E5619D-CF88-CD8D-C516-725286102AF8 Element :PDBDownload Type :10 Factory: PDBDownload() Interface: download(std::string, std::string) downloadPdb(std::string) downloadPdb1(std::string) Attributes: You might need to allow the terminal with "--logconsole" flag when running SAMSON. If you have some problems with std::cout not printing to your terminal, you might print it yourself into std::cerr: // Print interface std::cerr << "Interface:\n"; auto functionMap = classProxy->getInterface()->getFunctionMap(); for (auto i = functionMap.begin(); i != functionMap.end(); ++i) std::cerr << i->getKey() << "\n"; // Print attributes std::cerr << "Attributes:\n"; auto attributeMap = classProxy->getInterface()->getAttributeMap(); for (auto i = attributeMap.begin(); i != attributeMap.end(); ++i) std::cerr << i->getKey() << "\n";

Hi @Max For the Python Scripting, it is necessary to specify in the OS environment variables the path to the Python executable. If you are using Windows and Python installed by Anaconda, then you will need to append to the Path environment variable the paths to your installation of Anaconda, like that (depends on where Anaconda is installed): C:\Anaconda3;C:\Anaconda3\Scripts; On Windows, it might be necessary to restart your system after that. All the rest should be detected automatically during the launch of SAMSON. Also, to be able to use Python Scripting in SAMSON you will need the next Python packages installed: jupyter, qtconsole, numpy. These packages should be installed automatically if you installed Python using the Anaconda installer. You can verify your installation (https://docs.anaconda.com/anaconda/install/verify-install) and check whether the necessary packages were installed. If they are not installed (which is the case for installation using the Miniconda installer), you can install them via: conda install jupyter qtconsole numpy You can check the installation instructions for Python Scripting here: https://documentation.samson-connect.net/scripting-guide/python-script-installation/ Please, let us know if you still experience problems.

From here you can solve your issue related to the dll file, what you need to do is check missing Burutter.dll and copy the setting and save the dll file setting in your PC then you are able to replying of dll files.

This is already quite helpful, thank you! I will try and see if displayLineSweptSpheres solves the issue. I will post the solution when I've found it! Cheers, Haichao

I created a ticket. thanks for your answer!

Hello, you get a key in two ways: you don't create an account, and you use the one indicated on https://www.samson-connect.net: try@samson-connect.net and 38540-DEBE1-44187-A67B7-08471 you create an account, and you use your email address and the key you receive at that email address when you download the installer. You can also have the key sent to you in the My SAMSON / Account page on SAMSON Connect: [image: 0_1530614694842_47a485ff-97ee-4db0-8ad3-044b51b2ce42-image.png] SAMSON and many SAMSON Elements are free, yes. Note that you need to create an account if you want to choose which SAMSON Elements you add to your SAMSON. Hope this helps, Stephane

ok great!