Pharmacophore modification

This protocol modifies the properties of the features inside a Pharmacophore object. The user can design a list of actions involving removal or modification of present features or the addition of new ones. The user can specify the coordinates, size and type of each of the modified features.

Input

Note

All parameters include a help button that gives further information for each of them.

Pharmacophore modification form

The result of this protocol is a PharmacophoreChem object with the modified features.

Pharmacophore modification output

Test

This protocol has an integrated test that can be run using the following command:

scipion3 tests pwchem.tests.tests_pharmacophores.TestPharmModification