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[Feature Request] Support for viewing general chemical structures (not just proteins) #3

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victorolet opened this issue Dec 7, 2021 · 6 comments

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

@victorolet victorolet changed the title Adding support for viewing general chemical structures (not just proteins) [Feature Request] Support for viewing general chemical structures (not just proteins) Dec 7, 2021
@a-r-j
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a-r-j commented Dec 7, 2021

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
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a-r-j commented Dec 10, 2021

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

@victorolet
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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
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a-r-j commented Dec 10, 2021

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

@a-r-j
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a-r-j commented Dec 10, 2021

Hi @hekima31

Looks like your files are actually missing the number of atoms and the comment line at the start: molstar/molstar#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

@a-r-j a-r-j closed this as completed Dec 10, 2021
@victorolet
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Thank you @a-r-j ! It works now.
Thank you for this fantastic project!

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