---
name: "obenergy"
section: "1"
platform: "linux"
package: "openbabel"
version: "3.2.1-1"
release: "Arch Linux 2026-11-01"
platforms: ["linux"]
url: "https://new.carta.tech/obenergy"
---

# obenergy(1)

calculate the energy for a molecule

## NAME

**obenergy** – calculate the energy for a molecule

## SYNOPSIS

**obenergy** \[*OPTIONS*\] *filename*

## DESCRIPTION

The **obenergy** tool can be used to calculate the energy for molecules inside (multi-)molecule files (e.g., MOL2, etc.)

## OPTIONS

If no filename is given, **obenergy** will give all options including the available forcefields.

- **-v**

  Verbose: print out all individual energy interactions

- **-ff** *forcefield*

  Select the forcefield

## EXAMPLES

View the possible options, including available forcefields:

```
obenergy
```

Calculate the energy for the molecule(s) in file test.mol2:

```
obenergy test.mol2
```

Calculate the energy for the molecule(s) in file test.mol2 using the Ghemical forcefield:

```
obenergy -ff Ghemical test.mol2
```

Calculate the energy for the molecule(s) in file test.mol2 and print out all individual energy interactions:

```
obenergy -v test.mol2
```

## SEE ALSO

[obabel(1)](/obabel/1.md), [obminimize(1)](/obminimize/1.md), [obrotamer(1)](/obrotamer/1.md).

The web pages for Open Babel can be found at: \<**https://openbabel.org/**\>

The web pages for Open Babel Molecular Mechanics can be found at: \<**https://openbabel.org/docs/Forcefields/Overview.html**\>

## AUTHORS

The obenergy program was contributed by Tim Vandermeersch.

Open Babel is developed by a cast of many, including current maintainers Geoff Hutchison, Chris Morley, Michael Banck, and innumerable others who have contributed fixes and additions. For more contributors to Open Babel, see \<**https://openbabel.org/docs/Introduction/thanks.html**\>

## COPYRIGHT

Copyright (C) 2007 by Tim Vandermeersch.

This program is free software; you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation version 2 of the License.

This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.