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Ramprasad-Group / PSP

PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.
MIT License
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branched-chain polymer building #16

Open hirose125 opened 1 year ago

hirose125 commented 1 year ago

Hello. Thank you for creating such a wonderful toolkit. Using this feature, is it possible to produce a branched-chain polymer with more than three reactive sites within the monomer? image

harikrishna-chem commented 1 year ago

We appreciate your feedback. Currently, PSP doesn't support creating models for branched-chain polymers with more than three reactive sites within a monomer. However, we have taken note of your request, and we will certainly consider adding this capability in a future update. Thank you so much.

Thank You!Harikrishna Sahu Postdoctoral fellow | Georgia Institute of Technology, USA Webpage: http://harikrishnasahu.com ORCID https://orcid.org/0000-0001-5458-9488 | Web of Science https://publons.com/researcher/4003680/harikrishna-sahu/ | Google Scholar https://scholar.google.co.in/citations?user=kiTk5rAAAAAJ&hl=en | LinkedIn https://www.linkedin.com/in/harikrishna-chem/ | ResearchGate https://www.researchgate.net/profile/Harikrishna-Sahu-2

On Sun, 20 Aug 2023 at 20:44, hirose125 @.***> wrote:

Hello. Thank you for creating such a wonderful toolkit. Using this feature, is it possible to produce a branched-chain polymer with more than three reactive sites within the monomer? [image: image] https://user-images.githubusercontent.com/113399340/261885742-3fec5acd-b509-43f3-905a-31e7681af17d.png

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hirose125 commented 1 year ago

Thank you for your prompt reply. It might be challenging, especially when there are multiple reaction points, due to the order of rare numbers or randomness. However, I believe it would be extremely beneficial for actual material development, particularly in the formation of network polymers. I understand it's just a suggestion, but I'm looking forward to the addition of this feature.