Forrest logo
back to the obabel tool

obabel:tldr:18d6b

obabel: Convert a .mol file to XYZ coordinates.
$ obabel ${filename-mol} -O ${path-to-output_file-xyz}
try on your machine

This command is invoking the "obabel" command-line tool with certain arguments.

"obabel" is a software tool used for chemical file format interconversion. It can convert various chemical file formats to and from each other.

The command is using the following variables:

  • ${filename-mol} represents the name of the input file in "mol" format.
  • ${path-to-output_file-xyz} represents the desired path and name for the output file in "xyz" format.

The command is telling obabel to take the input file (${filename-mol}) and convert it to the "xyz" format, and then save it with the specified filename/path (${path-to-output_file-xyz}). The resulting output file will be in the "xyz" format.

This explanation was created by an AI. In most cases those are correct. But please always be careful and never run a command you are not sure if it is safe.
back to the obabel tool