rdkit 201309-1 source package in Ubuntu
Changelog
rdkit (201309-1) unstable; urgency=low
* New upstream release.
[ Daniel Leidert ]
* debian/control (Standards-Version): Bumped to 3.9.5.
* debian/patches/733359_bison3_compatibility.patch: Added.
- Fix syntax for bison 3.x to fix FTBFS (closes: #733359).
* debian/patches/series: Added.
-- Debichem Team <email address hidden> Sun, 29 Dec 2013 01:53:13 +0100
Upload details
- Uploaded by:
- Debichem Team
- Uploaded to:
- Sid
- Original maintainer:
- Debichem Team
- Architectures:
- any all
- Section:
- science
- Urgency:
- Low Urgency
See full publishing history Publishing
| Series | Published | Component | Section | |
|---|---|---|---|---|
| Trusty | release | universe | science |
Downloads
| File | Size | SHA-256 Checksum |
|---|---|---|
| rdkit_201309-1.dsc | 1.6 KiB | f41e04b1ec6276e6476e87684548a9e101ee2d80608a2c00bfdaae0e09dc096e |
| rdkit_201309.orig.tar.gz | 22.3 MiB | 459ffabbca831cb85f7b5663ddd47fbf779d83f2bc8264231a2287168af7f01e |
| rdkit_201309-1.debian.tar.gz | 7.5 KiB | 9bf844262394a9efc8db26bb1bfddf27f5af35a2793d723fdd1f6476ede6e161 |
Available diffs
- diff from 201306-2 to 201309-1 (2.2 MiB)
No changes file available.
Binary packages built by this source
- librdkit-dev: No summary available for librdkit-dev in ubuntu utopic.
No description available for librdkit-dev in ubuntu utopic.
- librdkit1: No summary available for librdkit1 in ubuntu utopic.
No description available for librdkit1 in ubuntu utopic.
- python-rdkit: No summary available for python-rdkit in ubuntu utopic.
No description available for python-rdkit in ubuntu utopic.
- rdkit-data: No summary available for rdkit-data in ubuntu utopic.
No description available for rdkit-data in ubuntu utopic.
- rdkit-doc: Collection of cheminformatics and machine-learning software (documentation)
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 descriptors
* Fragmentation using RECAP rules
* 2D coordinate generation and depiction
* 3D coordinate generation using geometry embedding
* UFF forcefield
* Calculation of (R/S) stereochemistry codes
* Pharmacophore searching
* Calculation of shape similarity
* Atom pairs and topological torsions fingerprints
* Feature maps and feature-maps vectors
* Machine-learning algorithms
* Gasteiger-Marsili partial charge calculation
.
File formats RDKit supports include MDL Mol, SDF, TDT, SMILES and RDKit binary
format.
.
This package contains the documentation.
