Metadata-Version: 2.4
Name: rsmol
Version: 0.1.0
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Rust
Classifier: Topic :: Scientific/Engineering :: Chemistry
Classifier: Topic :: Scientific/Engineering :: Visualization
Requires-Dist: numpy ; extra == 'numpy'
Provides-Extra: numpy
Summary: Fast, modern molecular visualization with a PyMOL-style scripting API
License-Expression: MIT OR Apache-2.0
Requires-Python: >=3.10
Description-Content-Type: text/markdown; charset=UTF-8; variant=GFM

# rsmol (Python)

Headless, scriptable rsmol with a PyMOL-style `cmd` API. Everything runs on the same engine as
the rsmol desktop app; `cmd.save("x.rsmol")` produces a session the app opens as is.

```python
from rsmol import cmd

cmd.fetch("1hsg")
cmd.select("pocket", "byres (organic around 5) and polymer")
cmd.show("sticks", "pocket and not name N+C+O")
cmd.color("byelement", "pocket")
d = cmd.distance("h1", "1hsg and chain A and resi 25 and name OD1", "resn MK1 and name O2")
cmd.zoom("organic")
cmd.png("pocket.png", 1600, 1000)
cmd.save("pocket.rsmol")
```

Build from source with `maturin develop --release` inside a virtual environment.

