[Feature Request] Support for viewing general chemical structures (not just proteins)

molstar / VSCoding-Sequence

VSCode Extension for interactively visualising protein structure data in the editor

MIT License

101 stars 9 forks source link

Closed victorolet closed 2 years ago

victorolet commented 2 years ago

Possible to add support for viewing general .xyz files not limited to proteins? Thank you.

a-r-j commented 2 years ago

Hiya @hekima31 :) We support:

.pdb
.pdbqt
.mmcif
.gro
.xyz
.cif
.mol
.mol2
.sdf

Are these not working for you? Which version are you on?

a-r-j commented 2 years ago

Hi @hekima31. Are you still having trouble? If not, I’ll close this issue.

victorolet commented 2 years ago

Hi @a-r-j, sorry for my delayed reply. version: 0.0.4

I am still having the same issue. Attached a gif to demonstrate the issue if it helps. Reproducible

a-r-j commented 2 years ago

Thanks! Looks like this might be a problem in Mol* itself. I'll open an issue

a-r-j commented 2 years ago

Hi @hekima31

Looks like your files are actually missing the number of atoms and the comment line at the start: https://github.com/molstar/molstar/issues/306

I can confirm the following works so closing this issue

8
cube
C 0.0 0.0 0.0
C 1.0 0.0 0.0
C 1.0 1.0 0.0
C 0.0 1.0 0.0
C 0.0 0.0 1.0
C 1.0 0.0 1.0
C 1.0 1.0 1.0
C 0.0 1.0 1.0

victorolet commented 2 years ago

Thank you @a-r-j ! It works now. Thank you for this fantastic project!