Package - postgresql-13-rdkit

Package:  postgresql-13-rdkit
apt-get install postgresql-13-rdkit
Documentations in package:

Primary informations

Download package: https://apt.postgresql.org/pub/repos/apt/pool/main/r/rdkit/postgresql-13-rdkit_202503.1-5.pgdg13+1_amd64.deb (Size: 245.1KiB)

PropertyValue
Packagepostgresql-13-rdkit
Sourcerdkit
Version202503.1-5.pgdg13+1
Architectureamd64
MaintainerDebichem Team
Installed-Size590
Dependslibc6 (>= 2.14), libgcc-s1 (>= 3.0), librdkit1t64 (>= 202503.1), libstdc++6 (>= 13.1), postgresql-13
Homepagehttp://www.rdkit.org
Priorityoptional
Sectiondatabase
Filenamepool/main/r/rdkit/postgresql-13-rdkit_202503.1-5.pgdg13+1_amd64.deb
Size250988
SHA25656abc4cc267b50c5a30fee952d3b430210dec7dc11153d0b641c64639aa81cdd
SHA175ba4089802aad15f63499ab0097be580bce9f5f
MD5sum5d036cdb101df8ba9b7eb3e1c0947012
DescriptionCheminformatics 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

Files in package

  • /usr/lib/postgresql/13/lib/rdkit.so
  • /usr/share/doc/postgresql-13-rdkit/changelog.Debian.gz
  • /usr/share/doc/postgresql-13-rdkit/changelog.gz
  • /usr/share/doc/postgresql-13-rdkit/copyright
  • /usr/share/postgresql/13/extension/rdkit--3.8--4.0.sql
  • /usr/share/postgresql/13/extension/rdkit--4.0--4.0.1.sql
  • /usr/share/postgresql/13/extension/rdkit--4.0.1--4.1.sql
  • /usr/share/postgresql/13/extension/rdkit--4.1--4.1.1.sql
  • /usr/share/postgresql/13/extension/rdkit--4.1.1--4.2.sql
  • /usr/share/postgresql/13/extension/rdkit--4.2--4.3.0.sql
  • /usr/share/postgresql/13/extension/rdkit--4.3.0--4.4.0.sql
  • /usr/share/postgresql/13/extension/rdkit--4.4.0--4.5.0.sql
  • /usr/share/postgresql/13/extension/rdkit--4.5.0--4.6.0.sql
  • /usr/share/postgresql/13/extension/rdkit--4.6.0--4.6.1.sql
  • /usr/share/postgresql/13/extension/rdkit--4.6.1--4.7.0.sql
  • /usr/share/postgresql/13/extension/rdkit--4.7.0.sql
  • /usr/share/postgresql/13/extension/rdkit.control