ryjmacdonell / gimbal

Properties and transformations of 3D molecular geometries
MIT License
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Auto formatting #23

Closed ryjmacdonell closed 7 years ago

ryjmacdonell commented 7 years ago

The format of an input file is automatically parsed, and the format of an output file is assigned based on the filename extension (with XYZ as the default). A console script 'convgeom' as a quick tool for file conversion.