Graphical User Interface (GUI)

The OpenAD GUI is an interface that lets you instantly visualize your results and open molecule files like SDF, PDB, CIF etc.

The GUI consists of:

• File Browser

  To display the files in your workspace.

  Bash

  launch gui
  

  

• Molecule Viewer

  To visualize any recognized identifier (SMILES, InChI, InChIKey, name, FASTA) as well as molecule files. It supports small molecules as well as macromolecules like proteins or crystals.

  Bash

  show mol dopamine
  show mol C1=CC(=C(C=C1CCN)O)O
  show mol InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
  show mol VYFYYTLLBUKUHU-UHFFFAOYSA-N
  

  

• Molecule Set Viewer

  To visualize, sort and filter collections of small molecules (SDF, CSV, SMI).

  Bash

  show molset 'candidates.sdf'
  show molset 'candidates.molset.json'
  show molset 'candidates.csv'
  

  

• Data Viewer

  To display and edit the contents of any CSV file.

  Bash

  display data 'sample_data.csv'
  

  Bash

  result open
  

  

Preview

File Browser

Molecule Viewer

Molecule Set Viewer

Data Viewer