Johanna K. S. Tiemann

I also still have the same problem. Is there a link/version out to try out the Molecular design toolkit?

Hey Sergio, you can just use MDAnalysis, we used mdtraj as a lighter version but MDAnalysis is now quite powerful and covers mostly all file formats. And yes, we only...

hm, that looks like a numpy error - could you check if that is individually working? (and while you're on it, it's also good, as a backup, to check if...

just for clarification, you can start the MDsrv from the command line & visualize & run simulations from there but have problems with the deployment? Can you also check if...

oh yes, python2 can be an issue! MDAnalysis only works with python3, so a mixup could result in not being able to run it. Still strange with having the virtual...

okay, that sounds great! I totally forgot to mention, for the deployment, you have to set your virtual environment correctly (in the wsgi file) - maybe there an error occurred...

To comment mdtraj out, you can just set ``` try: import mdtraj as md from mdtraj.formats import * importarray[0] = True importarray[2] = True ``` both to `False` . I...

okay - can you check `/var/log/apache2/error.log` ? When it's related to the deployment, we should get more info there. Also, please check the paths in your wsgi & that you...

looks like you're using mod_wsgi of python2: > [Tue Apr 28 09:56:08.181303 2020] [mpm_event:notice] [pid 1475:tid 1996300816] AH00489: Apache/2.4.38 (Raspbian) mod_wsgi/4.6.5 Python/2.7 configured -- resuming normal operations Could you re-install...

ups, there is a `[0]`, which should not be there... So change the wsgi to either `if sys.version_info > (3,):` or to `if sys.version_info[0] >= 3:` Where did you take...