How to Install and Uninstall librdkit-dev Package on Ubuntu 16.04 LTS (Xenial Xerus)

Last updated: December 24,2024

1. Install "librdkit-dev" package

Please follow the steps below to install librdkit-dev on Ubuntu 16.04 LTS (Xenial Xerus)


    
        
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                sudo apt update
            
                    
    
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                sudo apt install
            
                        
                librdkit-dev
            
                    
    
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2. Uninstall "librdkit-dev" package

Learn how to uninstall librdkit-dev on Ubuntu 16.04 LTS (Xenial Xerus):


    
        
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                sudo apt remove
            
                        
                librdkit-dev
            
                    
    
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                sudo apt autoclean && sudo apt autoremove
            
                    
    
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3. Information about the librdkit-dev package on Ubuntu 16.04 LTS (Xenial Xerus)

Package: librdkit-dev
Priority: optional
Section: universe/libdevel
Installed-Size: 1261
Maintainer: Ubuntu Developers
Original-Maintainer: Debichem Team
Architecture: amd64
Source: rdkit
Version: 201503-3
Depends: librdkit1 (= 201503-3)
Filename: pool/universe/r/rdkit/librdkit-dev_201503-3_amd64.deb
Size: 176014
MD5sum: e1ecf6b6e38523d86630f6972df9a1c8
SHA1: 9e2388c272f2d3a3abfa8b1deb740fdfb2002229
SHA256: 0cbdd2c96d8b55f9c54e47ac5aa710cd1823381da603c7097166d1e8ed8f3d2d
Description-en: Collection of cheminformatics and machine-learning software (development files)
RDKit is a Python/C++ based cheminformatics and machine-learning software
environment. Features Include:
.
* Chemical reaction handling and transforms
* Substructure searching with SMARTS
* Canonical SMILES
* Molecule-molecule alignment
* Large number of molecular descriptors, including topological,
compositional, EState, SlogP/SMR, VSA and Feature-map vectors
* Fragmentation using RECAP rules
* 2D coordinate generation and depiction, including constrained depiction
* 3D coordinate generation using geometry embedding
* UFF and MMFF94 forcefields
* Chirality support, including calculation of (R/S) stereochemistry codes
* 2D pharmacophore searching
* Fingerprinting, including Daylight-like, atom pairs, topological
torsions, Morgan alogrithm and MACCS keys
* Calculation of shape similarity
* Multi-molecule maximum common substructure
* Machine-learning via clustering and information theory algorithms
* Gasteiger-Marsili partial charge calculation
.
File formats RDKit supports include MDL Mol, PDB, SDF, TDT, SMILES and RDKit
binary format.
.
This package contains the header files.
Description-md5: ef520df963b37a42b713bcd050909a65
Homepage: http://www.rdkit.org
Bugs: https://bugs.launchpad.net/ubuntu/+filebug
Origin: Ubuntu