This is a tool designed to provide a simple way of standardising molecules as a prelude to e.g. molecular modelling exercises.
To install, download this project and ensure that Python can find the standardise/ directory. Note that RDKit must also be installed and accessible to Python.
Please see the IPython Notebooks in docs/ or the HTML versions in docs/html/ for more information. The HTML version is also available for browsing at https://wwwdev.ebi.ac.uk/chembl/extra/francis/standardiser/.
This work was funded by the IMI eTOX project.
This code is released under the Apache 2.0 license. Copyright [2014] is retained by the EMBL-EBI.
Release files for standardiser 0.1.9
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
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| standardiser-0.1.9.tar.gz | 698.4 kB | Details |
Release files / standardiser-0.1.9.tar.gz
| Download URL | standardiser-0.1.9.tar.gz |
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| Size | 698.4 kB |
| Tags | Source |
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