How to Install and Uninstall librdkit1 Package on Ubuntu 21.04 (Hirsute Hippo)

Last updated: November 22,2024

1. Install "librdkit1" package

This tutorial shows how to install librdkit1 on Ubuntu 21.04 (Hirsute Hippo)


    
        
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                sudo apt update
            
                    
    
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                sudo apt install
            
                        
                librdkit1
            
                    
    
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2. Uninstall "librdkit1" package

Please follow the guidance below to uninstall librdkit1 on Ubuntu 21.04 (Hirsute Hippo):


    
        
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                sudo apt remove
            
                        
                librdkit1
            
                    
    
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                sudo apt autoclean && sudo apt autoremove
            
                    
    
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3. Information about the librdkit1 package on Ubuntu 21.04 (Hirsute Hippo)

Package: librdkit1
Architecture: amd64
Version: 202009.4-1
Priority: optional
Section: universe/libs
Source: rdkit
Origin: Ubuntu
Maintainer: Ubuntu Developers
Original-Maintainer: Debichem Team
Bugs: https://bugs.launchpad.net/ubuntu/+filebug
Installed-Size: 15658
Depends: libboost-iostreams1.74.0 (>= 1.74.0), libboost-python1.74.0 (>= 1.74.0), libboost-python1.74.0-py39, libboost-serialization1.74.0 (>= 1.74.0), libc6 (>= 2.29), libcoordgen1 (>= 1.4.2), libfreetype6 (>= 2.2.1), libgcc-s1 (>= 3.4), libmaeparser1 (>= 1.2.4), libpython3.9 (>= 3.9.1), libstdc++6 (>= 9)
Filename: pool/universe/r/rdkit/librdkit1_202009.4-1_amd64.deb
Size: 3434780
MD5sum: 592677cde98b8d3e19e502cb712576ba
SHA1: 788c172aa5213f9418253658075d834431089ae1
SHA256: 63816c756c36a4254dabd0b602f2d8af08536503f63fac2b7411d630b1243226
SHA512: 384089d11fb59f1e22a1542dff2dcc5a89295879b5422edbbbb30dd317345214236e9f22b41bf16256a75849fd385146203a57757bcb403ee4a6a9138ef38c69
Homepage: http://www.rdkit.org
Description-en: Collection of cheminformatics and machine-learning software (shared libraries)
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 shared libraries.
Description-md5: f3b5688fc64de582110322df8c0d19da