Dear @Mattia-Felice ,

Thank you for the feedback! We will consider this for the next releases of SAMSON.

We will surely add more labeling possibilities in the next release.

As for formats from ab initio packages, SAMSON currently supports only Molden and it loads only the molecular structure from it. But we can add the possibility to load other data from it as well.

Awesome, thanks for letting us know!

Ok thanks. I'm going to contact you by email for further exchange.

@aaa Thank you for reporting your solution here!

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.

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

In case someone else is in the same situation. I just finished porting our plugin to 0.7.0 and the only changes I had to make were in SAMSON::getProxy (the arguments have changed), and the call functions of the proxies (arguments of SBValue type used to be pointers, now they are passed by reference).

We have still to test it to make sure all functionality is working, but so far it seems that was it.

Regards,

Elisa

Awesome !

Thank you guys, you rock !

Yassine

You don't need to upgrade your whole system; you can try to update it via the above-given commands which will update the packages installed on your system. And if glibc 2.33 is not available with the update you can try to install it from OpenSUSE Tumbleweed.

Great! I am glad that it worked!
Do not hesitate to contact us if you have any questions or feedback.

Wonderful, thanks for the tip. It took a little adjustment for me to get familiar with Inspector to just show the new model without the C-H's, but this works well.

Okay, Thanks.

Thank you, Stephan. I will give it a try.

@dmitriymarin Wow this is really great, thank you!!!

@admin one pdb file having protein and ligand docked.

Thank you, Dmitriy. I will try later. I just tried to open pdb file in Windows, and in status bar got the message, that it "can''t open" my file. I will try to put the log here a bit later.

Dear all,

Thanks for the answers. it was very helpful, we would probably then choose BSD-3 to make sure we stay compatible with SAMSON.

Best regards,

Elisa

Thanks a lot. Now it is working in the advanced element of AutoDock (normal one I did not check)
Thank you

Dear @Andrea ,

We have updated the Lennard-Jones Interaction Model SAMSON Element, now you can set the smaller epsilon parameter. The SAMSON Element should be updated automatically once you launch SAMSON with an Internet connection.

It works great ! Thanks a lot !