https://github.com/zachcp/pseutils
Make pymol session files vieweable on the web
https://github.com/zachcp/pseutils
molstar pymol rust
Last synced: about 1 month ago
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Make pymol session files vieweable on the web
- Host: GitHub
- URL: https://github.com/zachcp/pseutils
- Owner: zachcp
- Archived: true
- Created: 2024-07-10T18:39:50.000Z (11 months ago)
- Default Branch: main
- Last Pushed: 2024-10-28T17:32:29.000Z (7 months ago)
- Last Synced: 2025-04-26T04:55:59.401Z (about 1 month ago)
- Topics: molstar, pymol, rust
- Language: Rust
- Homepage: https://zachcp.github.io/pseutils/
- Size: 3.21 MB
- Stars: 1
- Watchers: 1
- Forks: 0
- Open Issues: 1
-
Metadata Files:
- Readme: Readme.md
Awesome Lists containing this project
README
**this is now archived. development can be found in [ferritin](https://github.com/zachcp/ferritin)**
# pseutils
Convert pymol `.pse` files to [mol-view-spec](https://github.com/molstar/mol-view-spec)/
## Testing
```sh
# build and show docs
just serve
cargo test
# to get all the print statements that are sprinkled around.
cargo test -- --nocapture
# build the docs
cargo clean --doc && cargo doc --no-deps --open
# to look at results
cargo test # generate an example
cd test_temporary && python -m http.server
# build the binary and test
cargo build --release
./target/release/pseutils --psefile tests/data/example.pse --outputdir binary_test
# outputs a complete directory
> tree binary_test
binary_test
├── index.html
├── molstar.css
├── molstar.js
├── pdb
│ └── 1pdb.pdb
├── pdb_contents.txt
└── state.mvsj
```
## Status
- PSE Conversion to Molstar-ready formula.
- Basic processing of molecules and selections
## Related
- [pymol source](https://github.com/schrodinger/pymol-open-source)
- [mol-view-spec](https://github.com/molstar/mol-view-spec)
- [MichelaNGLo-transpiler](https://github.com/matteoferla/MichelaNGLo-transpiler)
- [conversion notes](https://github.com/matteoferla/MichelaNGLo-transpiler/blob/master/docs/conversion.md)
- [view rotation notes](https://github.com/matteoferla/MichelaNGLo-transpiler/blob/master/docs/notes_on_view_conversion.md)