/pseutils

Make pymol session files vieweable on the web

Primary LanguageRust

this is now archived. development can be found in ferritin

pseutils

Convert pymol .pse files to mol-view-spec/

Testing

# 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

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