postgresql-12-rdkit binary package in Ubuntu Focal s390x

 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.

Publishing history

Date Status Target Pocket Component Section Priority Phased updates Version
  2020-03-24 07:48:43 UTC Published Ubuntu Focal s390x release universe database Optional 201909.1-2ubuntu5
  • Published
  • Copied from ubuntu focal-proposed s390x in Primary Archive for Ubuntu
  Deleted Ubuntu Focal s390x proposed universe database Optional 201909.1-2ubuntu5
  • Removal requested .
  • Deleted by Ubuntu Archive Robot

    moved to Release

  • Published
  2020-03-24 07:53:54 UTC Superseded Ubuntu Focal s390x release universe database Optional 201909.1-2ubuntu4
  • Removed from disk .
  • Removal requested .
  • Superseded by s390x build of rdkit 201909.1-2ubuntu5 in ubuntu focal PROPOSED
  • Published
  • Copied from ubuntu focal-proposed s390x in Primary Archive for Ubuntu
  2020-03-25 12:10:11 UTC Deleted Ubuntu Focal s390x proposed universe database Optional 201909.1-2ubuntu4
  • Removed from disk .
  • Removal requested .
  • Deleted by Ubuntu Archive Robot

    moved to Release

  • Published
  2020-03-04 17:38:35 UTC Superseded Ubuntu Focal s390x release universe database Optional 201909.1-2ubuntu3
  • Removed from disk .
  • Removal requested .
  • Superseded by s390x build of rdkit 201909.1-2ubuntu4 in ubuntu focal PROPOSED
  • Published
  • Copied from ubuntu focal-proposed s390x in Primary Archive for Ubuntu
  2020-03-05 18:10:10 UTC Deleted Ubuntu Focal s390x proposed universe database Optional 201909.1-2ubuntu3
  • Removed from disk .
  • Removal requested .
  • Deleted by Ubuntu Archive Robot

    moved to Release

  • Published
  2020-02-27 11:15:54 UTC Superseded Ubuntu Focal s390x release universe database Optional 201909.1-2ubuntu1
  • Removed from disk .
  • Removal requested .
  • Superseded by s390x build of rdkit 201909.1-2ubuntu3 in ubuntu focal PROPOSED
  • Published
  • Copied from ubuntu focal-proposed s390x in Primary Archive for Ubuntu
  2020-02-28 12:10:13 UTC Deleted Ubuntu Focal s390x proposed universe database Optional 201909.1-2ubuntu1
  • Removed from disk .
  • Removal requested .
  • Deleted by Ubuntu Archive Robot

    moved to Release

  • Published

Source package