File extension .XYZ
Full Name | Developer | Category |
---|---|---|
Molecule Specification Format | N/A | Data Files |
The XYZ file extension is associated with the molecule specification file format. XYZ files are commonly used in chemical modeller programs such as Avogadro, and used to store atoms and atom coordinates for a wide variety of chemical molecules. They can also be used to store energy data as well as atomic property information collected during simulations.
A typical XYZ file begins with the number of atoms followed by a comment line containing information about the molecule, such as the title, creator, and date created. That line is followed by atom coordinate information, which is composed of a single line for each atom with the three atomic coordinates as well as an optional fourth column that contains the atom’s charge or other property. The last line contains the total energy of the molecule.
Similar File Extensions
There are other closely related file extensions such as .PDB, CCP4, .MOP, and .CIF, which are all used in atom, energy, and property simulations.
Programs for MAC system
Programs for LINUX system
After installing the required software, the operating system will usually automatically associate an unknown file type (in this case .XYZ) with the new application. If this does not happen, we can help the system a bit by selecting the software for it, which it should always use to open files with the .XYZ extension.
When choosing the software we can select the system to use this software every time.
Remember!
Using it for the first time it is good to check whether the .XYZ file opened in the application can be read by us and opens in a way that allows us to use it. If everything is in order, select this option the next time you open a file with the .XYZ extension. However, if the file has not opened correctly, we have to look for a different software, with which we can open files with the .XYZ extension. Select a different software from our list and install it on your computer. After the software is installed, repeat inspection openings of a .XYZ file. Sometimes you have to repeat the operation several times.
Other instructions
If none of the programs listed by us to work with the .XYZ file has not meet your expectations, you can try searching other websites. But remember to avoid downloading programs "that can open any file". These applications not only have very limited functionality, but may also expose you to expense tens of dollars when purchasing a license.
In the vast majority of cases you will find the program dedicated to support the .XYZ file, or any other file format. In addition, there is a chance that it will be a free program, and its functionality (concerning the .XYZ file) will be extended to the maximum.
It is also good to check
- if the .XYZ file has no errors
- or if it has been copied (or downloaded by the browser) thoroughly
Author’s guidelines

Mr B. Adam
Author of the guidelines / Founder of FileExtension.info
New technologies enthusiast, helping to solve problems with the files.
Do you have suggestions for this website?
contact @ fileextension.info Use the Contact Form