CIF ReaderΒΆ

Category Paths

  • Solution-based/Formulation

  • Role-based/Formulation Scientist

  • Product-based/Crystal Structure Prediction

  • Task-based/Crystal Structure Prediction

Description

Convert input CIF files to Orion datasets. Output records can be used to visualize small molecule crystal structures or as input for other formulation related Floes.

Promoted Parameters

Title in user interface (promoted name)

  • Failures (failure) type: dataset_out: Failed Crystal Structures (CIFs)
    Default: failure
  • Output Database of Molecules (out) type: dataset_out: Dataset containing records with cif files in the binary form.
    Default: CIFs

Parameter title in user interface (promoted name)

  • Input file (file) type: file_in: Text file to convert to records for use in a floe
    Default: ifs_in