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molstar / VSCoding-Sequence

VSCode Extension for interactively visualising protein structure data in the editor
MIT License
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Fails to open *.cif, *.CIF, *.MMCIF, *.mmCIF #16

Open tinchogb opened 1 year ago

tinchogb commented 1 year ago

Hi 👋🏼 , thanks for this amazing extension.

I was trying to open it from local files structures and...

Fails when I choose:

*.cif
*.CIF
*.MMCIF
*.mmCIF

but not with:

*.mmcif

Extension: Protein Viewer Version: v0.0.8 OS: Ubuntu 22.04 Visual Studio Code: Version: 1.72.2 Commit: d045a5eda657f4d7b676dedbfa7aab8207f8a075 Date: 2022-10-12T22:16:26.920Z Electron: 19.0.17 Chromium: 102.0.5005.167 Node.js: 16.14.2 V8: 10.2.154.15-electron.0 OS: Linux x64 5.15.0-52-generic Sandboxed: No

MarcoVando commented 1 year ago

Same here. What type of commands are needed in cif files? Some programs during structure solution/refinement usually export only atom positions and symmetry operations. Are these cif command sufficient?

a-r-j commented 1 year ago

Hmm, I was under the impression that I’d fixed this:

https://github.com/molstar/VSCoding-Sequence/blob/ce7a1de38900d721c1258621c4b473053e8e39e7/package.json#L76

It also doesn’t work for me though. I’m not going to have bandwidth to work on this for the foreseeable future so I’m hoping someone would be able to pick this up. Happy to support.

On a second look, it could be this line needs to be updated:

https://github.com/molstar/VSCoding-Sequence/blob/ce7a1de38900d721c1258621c4b473053e8e39e7/src/panels/ProteinViewerPanel.ts#L186

MarcoVando commented 10 months ago

Same problem What are the minimum needed commands that need to be in the .cif file? I use a software that generate very basic .cif files from refining process.