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Implemented changes requested in https://github.com/nvs-vocabs/EMODnetChemVocabs/issues/24
As follows:
Deprecated H0500011 and set up a "replacedBy" link to H0500005.
H0500009 broaden to include ot…
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Flexible residues should also be identified by chain letter.
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SBML file
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Dear PolyPly1.0-Team,
I was just trying out the new version of polyply to generate a topology file for the polymer I am working on (PPE).
However, since the parameters for PPEs are yet not includ…
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Dear developers,
I was wondering how to create copolymer itp files using polyply, e.g., PVA10-b-PEO10. I went through the homopolymer generation (PVA or PEO) but did not have any clue on how to gen…
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Hi, the tool works well with structures downloaded from the alphafold database, but I'm having trouble making it accept cif files that come out of other programs, and especially custom colabfold predi…
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Hello! Thank you very much for the PC-SAFT installation package. It helped me a lot in calculating thermodynamic properties.
I currently have a modeling problem about polymers. I find that your co…
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@gedw99: "I am building a 3D cad modelling system and tons of json data I need to
store on the servers in many data centers.
I run offline using indexdb and so need to also sync.
Originally I used po…
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### Motivação
O artigo [Exploring the “Goldilocks Zone” of Semiconducting Polymer Photocatalysts by Donor–Acceptor Interactions ](https://doi.org/10.1002/anie.201809702) contém alguns blocos de co…
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Not really an issue but rather a potential enhancement: the idea is to have the possibility of introducing (regio-)randomness on the polymer sequence. For example, for P3HT, what we model usually is r…