How to Install and Uninstall openbabel Package on Ubuntu 21.10 (Impish Indri)

Last updated: May 06,2024

1. Install "openbabel" package

Please follow the guidelines below to install openbabel on Ubuntu 21.10 (Impish Indri)


    
        
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                sudo apt update
            
                    
    
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                sudo apt install
            
                        
                openbabel
            
                    
    
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2. Uninstall "openbabel" package

This guide let you learn how to uninstall openbabel on Ubuntu 21.10 (Impish Indri):


    
        
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                sudo apt remove
            
                        
                openbabel
            
                    
    
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                sudo apt autoclean && sudo apt autoremove
            
                    
    
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3. Information about the openbabel package on Ubuntu 21.10 (Impish Indri)

Package: openbabel
Architecture: amd64
Version: 3.1.1+dfsg-6ubuntu1
Priority: optional
Section: universe/science
Origin: Ubuntu
Maintainer: Ubuntu Developers
Original-Maintainer: Debichem Team
Bugs: https://bugs.launchpad.net/ubuntu/+filebug
Installed-Size: 635
Depends: libc6 (>= 2.14), libgcc-s1 (>= 3.3.1), libopenbabel7 (>= 3.1.1+dfsg), libstdc++6 (>= 5.2)
Filename: pool/universe/o/openbabel/openbabel_3.1.1+dfsg-6ubuntu1_amd64.deb
Size: 121188
MD5sum: d5017adce2c29caa37d7440a3864a5d3
SHA1: 2f1f2743ceda2d28d8b5bc8f9f0b600032d9e361
SHA256: ec26c26fc826367b3a76b3ca725c056d8f57d6be8de14148fe07ea596fbcda33
SHA512: 03b6ff384e1b7bb1635b6b330480c222d8ac1a3acf4e23e3552f42439c278af1e2da076593b1393c9d8c6bd2dd703a3c6d5197185fd567fd26cb04ff59c6d07c
Homepage: http://openbabel.sourceforge.net
Description-en: Chemical toolbox utilities (cli)
Open Babel is a chemical toolbox designed to speak the many languages of
chemical data. It allows one to search, convert, analyze, or store data from
molecular modeling, chemistry, solid-state materials, biochemistry, or related
areas. Features include:
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* Hydrogen addition and deletion
* Support for Molecular Mechanics
* Support for SMARTS molecular matching syntax
* Automatic feature perception (rings, bonds, hybridization, aromaticity)
* Flexible atom typer and perception of multiple bonds from atomic coordinates
* Gasteiger-Marsili partial charge calculation
.
File formats Open Babel supports include PDB, XYZ, CIF, CML, SMILES, MDL
Molfile, ChemDraw, Gaussian, GAMESS, MOPAC and MPQC.
.
This package includes the following utilities:
* obabel: Convert between various chemical file formats
* obenergy: Calculate the energy for a molecule
* obminimize: Optimize the geometry, minimize the energy for a molecule
* obgrep: Molecular search program using SMARTS pattern
* obgen: Generate 3D coordinates for a molecule
* obprop: Print standard molecular properties
* obfit: Superimpose two molecules based on a pattern
* obrotamer: Generate conformer/rotamer coordinates
* obconformer: Generate low-energy conformers
* obchiral: Print molecular chirality information
* obrotate: Rotate dihedral angle of molecules in batch mode
* obprobe: Create electrostatic probe grid
Description-md5: 9d391ce1a3230895a2568f94e8575839