How to Install and Uninstall librdkit1 Package on Ubuntu 21.10 (Impish Indri)

Last updated: May 03,2024

1. Install "librdkit1" package

Here is a brief guide to show you how to install librdkit1 on Ubuntu 21.10 (Impish Indri)


    
        
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                sudo apt update
            
                    
    
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            $
        

        
            
                sudo apt install
            
                        
                librdkit1
            
                    
    
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2. Uninstall "librdkit1" package

This is a short guide on how to uninstall librdkit1 on Ubuntu 21.10 (Impish Indri):


    
        
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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 21.10 (Impish Indri)

Package: librdkit1
Architecture: amd64
Version: 202009.5-1
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: 15415
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_202009.5-1_amd64.deb
Size: 3404112
MD5sum: 11faa429930f5cedab5d31bf98d0ad2a
SHA1: fed7d33d04d9d84a6c4efb204da36650e4829802
SHA256: 50fab7507b5048af9fd20040bf699b1aec19ce9f63a94326c5578c2600155713
SHA512: ac16a682d71ecedbd0f124c48e0c1033547407e37a5f9ea0998ab58da3681fe17928a560afd1cc19d93c2ff0f353865537dcd3360c734cf5b9b9a5f16136d741
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