Package - postgresql-12-rdkit
Primary informations
Download package: https://apt.postgresql.org/pub/repos/apt/pool/main/r/rdkit/postgresql-12-rdkit_202503.1-5.pgdg13+1_amd64.deb (Size: 244.8KiB)| Property | Value |
|---|---|
| Package | postgresql-12-rdkit |
| Source | rdkit |
| Version | 202503.1-5.pgdg13+1 |
| Architecture | amd64 |
| Maintainer | Debichem Team |
| Installed-Size | 590 |
| Depends | libc6 (>= 2.14), libgcc-s1 (>= 3.0), librdkit1t64 (>= 202503.1), libstdc++6 (>= 13.1), postgresql-12 |
| Homepage | http://www.rdkit.org |
| Priority | optional |
| Section | database |
| Filename | pool/main/r/rdkit/postgresql-12-rdkit_202503.1-5.pgdg13+1_amd64.deb |
| Size | 250684 |
| SHA256 | c6f5adc7860d2cd470f3ad1275d3335d6a75fb491da5dea3eca9d8816c865ad3 |
| SHA1 | 9058f70b7e4f1acba526dbcbae7e8264253e4796 |
| MD5sum | 28efe93b009750a3bcd55e72183a66c2 |
| Description | 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 |
Files in package
- /usr/lib/postgresql/12/lib/rdkit.so
- /usr/share/doc/postgresql-12-rdkit/changelog.Debian.gz
- /usr/share/doc/postgresql-12-rdkit/changelog.gz
- /usr/share/doc/postgresql-12-rdkit/copyright
- /usr/share/postgresql/12/extension/rdkit--3.8--4.0.sql
- /usr/share/postgresql/12/extension/rdkit--4.0--4.0.1.sql
- /usr/share/postgresql/12/extension/rdkit--4.0.1--4.1.sql
- /usr/share/postgresql/12/extension/rdkit--4.1--4.1.1.sql
- /usr/share/postgresql/12/extension/rdkit--4.1.1--4.2.sql
- /usr/share/postgresql/12/extension/rdkit--4.2--4.3.0.sql
- /usr/share/postgresql/12/extension/rdkit--4.3.0--4.4.0.sql
- /usr/share/postgresql/12/extension/rdkit--4.4.0--4.5.0.sql
- /usr/share/postgresql/12/extension/rdkit--4.5.0--4.6.0.sql
- /usr/share/postgresql/12/extension/rdkit--4.6.0--4.6.1.sql
- /usr/share/postgresql/12/extension/rdkit--4.6.1--4.7.0.sql
- /usr/share/postgresql/12/extension/rdkit--4.7.0.sql
- /usr/share/postgresql/12/extension/rdkit.control