# polyGraft: A Program for Molecular Structure and Topology Generation of Polymer-Grafted Hybrid Nanos

**URL:** <https://gromacs.bioexcel.eu/t/polygraft-a-program-for-molecular-structure-and-topology-generation-of-polymer-grafted-hybrid-nanos/7087>\
**Category:** Third party tools and files\
**Created:** [August 27, 2023, 6:28pm UTC](https://gromacs.bioexcel.eu/t/polygraft-a-program-for-molecular-structure-and-topology-generation-of-polymer-grafted-hybrid-nanos/7087 "2023-08-27T18:28:59Z")\
**Posts on this page:** 1\
**Page:** 1

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**Author:** ![nano](https://avatars.discourse-cdn.com/v4/letter/n/dec6dc/32.png) [@nano](https://gromacs.bioexcel.eu/u/nano)\
**Post date:** [August 27, 2023, 6:28pm UTC](https://gromacs.bioexcel.eu/t/polygraft-a-program-for-molecular-structure-and-topology-generation-of-polymer-grafted-hybrid-nanos/7087/1 "2023-08-27T18:28:59Z")

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Brief description of tools/files: A general, flexible, and easy-to-use Python program for automated generation of molecular structure and topology of polymer-grafted hybrid materials for MD simulations purposes, ranging from polymer brushes grafted to hard substrates to densely grafted bottlebrush polymers.

Link: [GitHub - nanogchen/polyGraft: A Program for Molecular Structure and Topology Generation of Polymer-Grafted Hybrid Nanostructures](https://github.com/nanogchen/polyGraft)  
Contact person (name and email address): Guang Chen, [nanogchen@gmail.com](mailto:nanogchen@gmail.com)

How the work has been tested/reviewed: Chen, G., _J. Comput. Chem._ 2023, 1. [https://doi.org/10.1002/jcc.27206](https://doi.org/10.1002/jcc.27206)