:orphan: true

.. _pwchem-zinc-filter:

###############################################################
ZINC filter
###############################################################
This protocol filters a ``SetOfSmallMolecules`` by the presence/absence of each of the molecules in the specified ZINC
subset(s). To do so, the molecules must have a ZINC ID, either in the MolName or in a ZINC_ID attribute
(easy to get using the Identify ligands protocol).
You can find the different defined ZINC subsets in https://zinc15.docking.org/substances/subsets/.

Input
----------------------------------------
.. include:: ../../../../templates/plugins/input-help.rst

.. image:: ../../../../../_static/images/plugins/pwchem/database/zinc-filter/form.png
   :alt: ZINC filter form
   :height: 400
   :align: center

|

The result of this protocol is a ``SetOfSmallMolecules`` where those molecules in the input that did not match the subgroup
filters have been removed.

.. |testCommand| replace:: pwchem.tests.tests_databases.TestZINCFilter
.. include:: ../../../../templates/plugins/protocol-test.rst