Sergio Pérez Conesa
Sergio Pérez Conesa
`nv.show_structure_file` does seem to work.
The other files seem to work so it must be a problem in my pdb file, which is weird it works with mda and vmd too. My bad. I'll attach...
Ah good to know. This will make my life easier to search for info. In addition, when I do visualize it with show_structure_file I only see 2 of the subunits:...
The broken chain seems to be because of the PROA, PROB, PROC, PROD segname that confuses either MDAnalysis or nglview. Could it be a versions issue. These are the versions...
I would really love to contribute to this project and many others but unfortunatelly I don't have the time nor the expertise at this moment. Perhaps there is no need...
By the way, does the segname problem explain both phenomena? I am not sure if I understood.
The reason for this weird format is that mdanalysis takes a pdb with chain A and segid PROA and writes it out as chain P and segname PROA because it...
I don't know if it is deprecated in some programs but CHARMM-GUI uses it and everybody in membrane protein comunity uses CHARMM-GUI to build systems. I think it is a...
The issue seems to come from jupyterlab-vim 0.16 which breaks vimrc. Downgrading to jupyterlab-vim 0.15.1 fixes the problem Any chance this could be fixed?
Oh, I hadn't thought of that. I'm kind of new to this stuff. Unfortunately, I'm having trouble installing the pre-commit-hook haha. Hopefully I will make it work. In any case,...