/molray

Ray tracer for creating simple molecule depictions.

Primary LanguageF#MIT LicenseMIT

License: MIT


Description

Small console app for creating simple space-filling depictions of molecules.

This app is an extension of the raytracer in the Fable REPL: https://fable.io/repl/

Usage

Directly call the command line interface project with path to SDF file as only argument, like:

dotnet run -p ./src/Cli/Cli.fsproj <path_to_sdf_file>

Example

dotnet run -p ./src/Cli/ ~/penicillin.sdf

penicllin