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Feature Request: Residue Depth MSMS application integration #464
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An I would be happy if you could implement this functionality. If you need some support, feel free to ask. I found a manual for MSMS with more in-depth explanation of the CLI parameters that the software itself: https://ccsb.scripps.edu/msms/documentation/ |
I have an MVP version of the MSMS application working now, and I will open a PR soon, but I do have a couple of things I would appreciate your opinion on:
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Hi, this sounds great. Regarding your questions:
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BioPython supports using the MSMS tool to find residue depth from the solvent accessible surface. It would be great if Biotite could support this as well, possibly through an extension to the Application submodule.
I would be happy to help contribute to this, or if you have another suggestion for accomplishing the same goal I'm all ears!
The equivalent submodule in BioPython:
https://biopython.org/docs/1.75/api/Bio.PDB.ResidueDepth.html
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