How to Install and Uninstall python3-rdkit Package on Kali Linux

Last updated: May 17,2024

1. Install "python3-rdkit" package

This tutorial shows how to install python3-rdkit on Kali Linux


    
        
            $
        

        
            
                sudo apt update
            
                    
    
    Copied


    
        
            $
        

        
            
                sudo apt install
            
                        
                python3-rdkit
            
                    
    
    Copied

2. Uninstall "python3-rdkit" package

Please follow the step by step instructions below to uninstall python3-rdkit on Kali Linux:


    
        
            $
        

        
            
                sudo apt remove
            
                        
                python3-rdkit
            
                    
    
    Copied


    
        
            $
        

        
            
                sudo apt autoclean && sudo apt autoremove
            
                    
    
    Copied

3. Information about the python3-rdkit package on Kali Linux

Package: python3-rdkit
Source: rdkit
Version: 202309.3-2
Installed-Size: 30903
Maintainer: Debichem Team
Architecture: amd64
Depends: fonts-freefont-ttf, rdkit-data, python3 (<< 3.12), python3 (>= 3.11~), python3-numpy (>= 1:1.22.0), python3-numpy-abi9, python3:any, libboost-python1.83.0 (>= 1.83.0), libboost-python1.83.0-py311, libboost-serialization1.83.0 (>= 1.83.0), libc6 (>= 2.34), libcairo2 (>= 1.4.10), libcoordgen3 (>= 3.0.2), libgcc-s1 (>= 3.0), libpython3.11 (>= 3.11.5), librdkit1 (>= 202309.3), libstdc++6 (>= 13.1)
Suggests: rdkit-doc
Size: 4556964
SHA256: 677927fb2062f68922812f434f6b88e12d0ae01153307e431f018e9a6c6c43eb
SHA1: 07a8bb242feea9c4190123ebc50892107a96e900
MD5sum: 2b404a4b5d2f8182cfee68d34c4cc14f
Description: Collection of cheminformatics and machine-learning software
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.
Description-md5:
Homepage: http://www.rdkit.org
Section: python
Priority: optional
Filename: pool/main/r/rdkit/python3-rdkit_202309.3-2_amd64.deb