How to Install and Uninstall librdkit-dev Package on Ubuntu 21.10 (Impish Indri)

Last updated: November 23,2024

1. Install "librdkit-dev" package

Please follow the step by step instructions below to install librdkit-dev on Ubuntu 21.10 (Impish Indri)


    
        
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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

In this section, we are going to explain the necessary steps to uninstall librdkit-dev on Ubuntu 21.10 (Impish Indri):


    
        
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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 21.10 (Impish Indri)

Package: librdkit-dev
Architecture: amd64
Version: 202009.5-1
Priority: optional
Section: universe/libdevel
Source: rdkit
Origin: Ubuntu
Maintainer: Ubuntu Developers
Original-Maintainer: Debichem Team
Bugs: https://bugs.launchpad.net/ubuntu/+filebug
Installed-Size: 2073
Depends: librdkit1 (= 202009.5-1)
Filename: pool/universe/r/rdkit/librdkit-dev_202009.5-1_amd64.deb
Size: 267544
MD5sum: ceb4e8102235e34322f78fa4761cfcce
SHA1: dc27c3d5d6b8f6547335981878c6a36e88f96a96
SHA256: 6fe80b4ac9a9e038b987367a8c702ad5f86df883b5c6867c7b86783fdddac0b6
SHA512: 64fa7411d01a2a4dc026b482c367daf8926c46cadaac192f5b97e54ae7e75b9e28031d65dc1e51d3110f6bd56407090b90433788bcdc48f6a32d644c3e675486
Homepage: http://www.rdkit.org
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 algorithm 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: cadf4e2d9818548292d31eade9e00bca