Convert.Guru

IQMOL Converter

Convert IQMOL files online for free


Drop or upload your .IQMOL file

How to convert your IQMOL file

  1. Click the "Select File" button above, and choose your IQMOL file.
  2. You'll see a preview.
  3. Click the "Convert file to..." button to save your file in the format you want.


Convert IQMOL to another file type

The converter easily converts your IQMOL file to various formats—free and online. No Windows or extra software needed.

Convert a file to IQMOL

The converter also works in reverse, allowing you to convert your file into the IQMOL file type—in the best quality.


About IQMOL files

IQMOL is a computational chemistry software package used for visualizing and analyzing quantum chemistry calculations. It primarily utilizes file formats such as .iqmol and .xyz to store molecular structures and related data. While IQMOL offers robust features for specialists in the field, converting these files to other formats can be essential for broader usability or integration with other software tools.

A common conversion is from .iqmol to formats like .pdb (Protein Data Bank) or .mol (MDL Molfile), which are widely used in molecular visualization and structural biology. Software such as Open Babel is a powerful tool that can convert IQMOL files to various formats. Open Babel supports a vast array of file formats and provides detailed documentation for users.

However, converting IQMOL files may present challenges, particularly due to format-specific data or metadata that might not directly translate to another file type. For instance, certain quantum computation details may be lost or require manual adjustments post-conversion. These complexities make it important for users to have a firm understanding of the file content and desired output format.

One limitation of IQMOL files is their specialized nature, which can make them less accessible for those outside the computational chemistry community. Additionally, compatibility with other visualization or molecular editing software might be limited unless the files are converted to more universally accepted formats. This is where using a platform like Convert.Guru becomes advantageous. Users can easily drag and drop their IQMOL files onto the site for conversion into various formats, making data more accessible and versatile.

For further reading on these file formats, consider visiting the Chemical file format page on Wikipedia.



The IQMOL Converter Story

The history of Convert.Guru began more than 25 years ago in California, when Tom Simondi published the most comprehensive database of file formats on his website. Before that, Tom had worked on Space Shuttle development at the Air Force Systems Command’s Space Division in Los Angeles. He is known as one of the top programmers of the late 1980s.

When Microsoft integrated Tom’s Filext database into Windows XP, it became the leading platform for analyzing and processing file types and formats.

Today, we use the latest technologies to analyze, process, and convert one of the world's largest collections of file formats. We are committed to developing the best IQMOL converter by continuously improving quality, usability, and reliability.

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