News
February 22, 2018
Generate structures for substituent effect screening
Screening substituent patterns of a base compound is a common task in computer aided materials design. In a new tutorial we demonstrate how you can use adfprep to generate a large pool of new structures by using a library of substituents included in the ADF Modeling Suite. Learn how you can manage, extend and use this library from the graphical user interface and in your scripts.
Update with AMS: check out the new PLAMS examples for substituent screening, including a video.
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