Hi Stephane,

thanks for your answer, I'll do that then.

Best

Laëtitia

Hello,

I wanted to run a asynchronous event on my samson app (I wanted to make the molecule vibrate and still be able to use something else).
I did it using QtConcurrent tools, for this I had to change the content of CMakeLists.txt to add QtConcurrent library. It compiles fine but now my app is not visible anymore in SAMSON Debug. Is it because I changed CMakeLists.txt?
Thanks in advance

I was more thinking of the later, for example to see the initial state or another conformer.

Another related question, is there a way to have several windows to display several molecules? (each one sitting in a different window with it's individual internal coordinates?)

It works like a charm and it seems so natural once you've seen it once.

Thanks a lot

Hello,

In the development on my app I would like at some moment to "reload" the view of the molecule. To import a new molecule and either forgetting about the one already displayed or save it somewhere. Which functions should I use?
Thanks for help.
Laëtitia

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.

Tnaks for your answer.

I indeed used the getX, getY, getZ functions but somehow I have completly different value that in my xyz. I'll dig in ASAP.

Hello,

When a xyz is imported, are the coordinates of the atoms saved somewhere? I don't find the proper element in SBAtom, getX is not the one...

Thanks

Laëtitia

ok I see.
Now I can start playing!

Thanks for help and patience.