Extract text from NWChem output files (NWO)
To convert NWO output files to another format, you need NWChem or other Data software.
To convert other file formats to the "Quantum Chemistry Output" file type, you need software like NWChem or a similar tool.
The .NWO file is a raw data output document generated by NWChem, an advanced computational chemistry software suite. These files store the detailed results of molecular dynamics simulations, quantum mechanical calculations, and geometry optimizations.
Scientists typically open .NWO files using specialized molecular visualization software like Avogadro or Jmol. Because they are plain text, they can technically be opened in code editors. However, they present significant usability challenges in the real world. NWChem logs extensive iteration data during calculations. As a result, .NWO files frequently grow to massive sizes, causing standard text editors to freeze or crash. Manually searching through thousands of lines of verbose text to find final energy values or molecular coordinates is highly inefficient.
To make this data usable, users convert .NWO files into standard chemical structure formats. The best conversion targets are XYZ for simple Cartesian coordinates, PDB for macromolecular structures, or .MOLDEN for viewing molecular orbitals. Keep in mind that converting an .NWO file to a structural format will strip away the thermodynamic data, run logs, and mathematical matrices.
Because this is a highly specialized scientific log file, standard online converters fail to parse its complex internal structure. Often, only the original software or dedicated parsing libraries can properly read the data. We can inspect the internal text content, allowing you to bypass crashed text editors and quickly extract the embedded computational data.
Convert.Guru analyzes your NWO file, detects the exact format, and lets you read the text inside.
If you want to convert NWO file to CSV, JSON, XML, YAML, YML, TOML, INI, CFG, CONF, DAT, DB or SQL, you can use NWChem or similar software from the "Computational Chemistry Data Output" category. In the File menu, look for Save As… or Export….
To convert DBF, XML, SQLITE, XLSX, SQL, TSV, ACCDB, YAML, MDB, CSV, ODS or JSON files to NWO, try NWChem or another comparable tool in the "Computational Chemistry Data Output" category.
The history of Convert.Guru began over 25 years ago in California with Tom Simondi’s file-format database. A former contributor to Space Shuttle development and a software pioneer of the 1980s, Simondi established a trusted resource for file type analysis that was even referenced by Microsoft Windows XP. Today, we use modern technology to process and convert thousands of file formats while continually improving our NWO converter.