Error loading .xyz files

[a-r-j]

Hiya,

Thanks for a great project!

I'm having some trouble loading .xyz files in both the VScode extension (molstar/VSCoding-Sequence#3) and the online viewer at molstar.org/viewer.

When loading an xyz file:

"viewer.loadStructureFromUrl('https://file%2B.vscod…masb/github/scPDB/octahedron.xyz', format='xyz');"

I get the error:

molstar.js:2 TypeError: Cannot read property 'entry' of undefined
    at lF (molstar.js:2)
    at Object.<anonymous> (molstar.js:2)
    at molstar.js:2
    at Object.next (molstar.js:2)
    at o (molstar.js:2)

Similarly, when using the online viewer & uploading a .xyz I get the same error.

Example .xyz files:

# dodecahedron.xyz
#
         0.57735027      0.57735027      0.57735027
         0.57735027      0.57735027     -0.57735027
         0.57735027     -0.57735027      0.57735027
         0.57735027     -0.57735027     -0.57735027
        -0.57735027      0.57735027      0.57735027
        -0.57735027      0.57735027     -0.57735027
        -0.57735027     -0.57735027      0.57735027
        -0.57735027     -0.57735027     -0.57735027
         0.35682209      0.93417236      0.00000000
        -0.35682209      0.93417236      0.00000000
         0.35682209     -0.93417236      0.00000000
        -0.35682209     -0.93417236      0.00000000
         0.93417236      0.00000000      0.35682209
         0.93417236      0.00000000     -0.35682209
        -0.93417236      0.00000000      0.35682209
        -0.93417236      0.00000000     -0.35682209
         0.00000000      0.35682209      0.93417236
         0.00000000     -0.35682209      0.93417236
         0.00000000      0.35682209     -0.93417236
         0.00000000     -0.35682209     -0.93417236

# cube.xyz
#
0.0 0.0 0.0
1.0 0.0 0.0
1.0 1.0 0.0
0.0 1.0 0.0
0.0 0.0 1.0
1.0 0.0 1.0
1.0 1.0 1.0
0.0 1.0 1.0

[dsehnal]

Hi, this isn't a valid XYZ file. It must start with a number of atoms, followed by a comment line and then list of element x y z rows.

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

should work.

[a-r-j]

You're completely correct! Thanks! I didn't realise there was a chemistry .xyz - was going based off these: https://people.math.sc.edu/Burkardt/data/xyz/xyz.html