Sebastian Gsänger

Results 14 comments of Sebastian Gsänger

Hi Yuri, thanks for bringing this back to my attention! Turns out the issue appears with v10.1.0 and also causes issues when the master branch is updated - thanks! There's...

Sorry for being silent about this issue. I still could not reproduce this, could you provide a specific way to reproduce this?

Thanks for your interest! I'm aware it's not particularly intuitive, but your surface-slab example is actually possible as you can override the draw-radius for each atom type. Just copy the...

Thanks for your rigorous testing. Distances, angles and dihedrals are provided by the "Selected Atoms" widget. Any suggestion on how to make this more visible?

My first guess would be that you used the left mouse button, which performs rotation, and therefore nothing in your case. Please try the middle and right button, or Ctrl...

Glad to hear there's no bug regarding this behavior. Feel free to be picky, this is very irritating after all. Somewhere down the line I hope to fix it, I...

It is a bug indeed! In the comment before i was thinking about a technical issue, but this is a usability problem, unfortunately from a coding point everything behaves as...

## Coupling with moltemplate If you check out the latest commits on testing, you'll see that a python terminal is now available in the GUI, which is enabled as soon...

> Yes! Moltemplate currently has no external dependencies. > > In the future, some optional features of moltemplate might depend on _numpy_, but I'll make sure that moltemplate can be...

Yes, that would be exactly it! Regarding properties, what would you suggest to export? Does the `MOLECULE_NAME` commonly differ from the file-name? You mentioned generating angles and dihedrals inside of...