How to Install and Uninstall postgresql-13-rdkit Package on Ubuntu 21.10 (Impish Indri)

Last updated: December 25,2024

1. Install "postgresql-13-rdkit" package

Please follow the guidance below to install postgresql-13-rdkit on Ubuntu 21.10 (Impish Indri)


    
        
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                sudo apt update
            
                    
    
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            $
        

        
            
                sudo apt install
            
                        
                postgresql-13-rdkit
            
                    
    
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2. Uninstall "postgresql-13-rdkit" package

This tutorial shows how to uninstall postgresql-13-rdkit on Ubuntu 21.10 (Impish Indri):


    
        
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                sudo apt remove
            
                        
                postgresql-13-rdkit
            
                    
    
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            $
        

        
            
                sudo apt autoclean && sudo apt autoremove
            
                    
    
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3. Information about the postgresql-13-rdkit package on Ubuntu 21.10 (Impish Indri)

Package: postgresql-13-rdkit
Architecture: amd64
Version: 202009.5-1
Priority: optional
Section: universe/database
Source: rdkit
Origin: Ubuntu
Maintainer: Ubuntu Developers
Original-Maintainer: Debichem Team
Bugs: https://bugs.launchpad.net/ubuntu/+filebug
Installed-Size: 821
Depends: libc6 (>= 2.14), libgcc-s1 (>= 3.0), librdkit1, libstdc++6 (>= 5.2), postgresql-13
Filename: pool/universe/r/rdkit/postgresql-13-rdkit_202009.5-1_amd64.deb
Size: 265076
MD5sum: 603903fb9e6a70d3fbb3b72cd8da0a1e
SHA1: 23ec231771a30acc642126f08177931f73fd4f18
SHA256: 1f9a56723035bea1eb4d052aeb7a464c99f28a31360a416bd8b8c025d037a964
SHA512: d7e2406f1bdc407c9124189425a294664957deaa423da9780cbf516f4ab6c0d38726b4f723d4827c5d01647131e892bfadceb4388b373cdf3f4b0dad3b181978
Homepage: http://www.rdkit.org
Description-en: Cheminformatics and machine-learning software (PostgreSQL Cartridge)
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 PostgreSQL extension.
Description-md5: 2ddeeb620f18198f3074591c17143805