Modeling

To update the topic and for information: If you are looking for instructions on how to create Python bindings for your SAMSON Extension, please refer to the Developer Guide: Creation of Python Bindings for SAMSON Extensions.

Dear @Lauren , We have updated the Creating visualizations: Van der Waals visual model tutorial in our Developer Guide. You can also check out the code samples corresponding to this tutorial here: https://github.com/1A-OneAngstrom/SAMSON-Developer-Tutorials/tree/master/VanDerWaals. The code samples contain more optimized code and some additional functionality.

Alternatively, you can do this without the Brenner interaction model but with the built-in minimization which uses the Universal Force Field (UFF) and the Add editor (shortcut: A) (it's Carbon by default). First, you will need to modify SAMSON preferences (Ctrl+K): -1- For the Add editor, disable the "Adjust hydrogens ..." option. [image: 0_1600418725406_Preferences-Add-no-adjust-H.png] -2- For the Minimization, disable the "Warn me when hydrogens appear to be missing" warning to prevent it from poping-up on each new bond connection. [image: 0_1600418739623_Preferences-Minimize-no-H-warning.png] Then you can apply the minimization: Home >Simulate > Minimize. Start connecting atoms in the nanotube and the graphene sheet using the Add editor (A) - to create a bond simply connect two atoms with this editor.

Dear Stephane, Yes, we have atoms. The 0.8.0 solution will be the best long-term, as we are dealing with large systems and FPS drop a lot when translating or rotating, but for now I will check the ParticlePositionChanged event. Thanks!! Elisa

Hi, I think I found the problem. Some initialization functions in the constructor of my class were overriding the unserialization. I tried to make a quick fix but when I do static casts in the unserialize function, SAMSON is crashing, so I will modify my constructor and check, it will take a bit though. Thanks for your help!

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.

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

Perfect thanks.

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

Thank you! I will try it with this. Yes, I meant SBStructuralGroup :)

Thank you! Using the GetClass and GetElementUUID methods is enough for my purposes :)

Thanks, this solves my problem!

Awesome ! Thank you guys, you rock ! Yassine