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### Bug summary
I was calculating MMPBSA using my gromacs result and ended up with error.
### Terminal output
```bash
combine_snap.sh _GMXMMPBSA_COM_FIXED.pdb _GMXMMPBSA_leap.in gmx_mmpbsa.lo…
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Creating a binder for this protein: https://alphafold.ebi.ac.uk/entry/Q8W3K0 and I'm getting this error both on T4's and A100's:
This error makes sense, but I'm confused as to how a protein that re…
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Hi there,
Thanks for developing such a great tool for the community.
I am trying to run the example data and stuck at the very begining. It looks like several of the python scripts begining wi…
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Hello, as others I have consistent error to analyse data. It works well up to end of september and reusing the same exact tables does not work anymore. The error message continuously appear. The tabl…
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Protein names are not consistent, even for the same protein, across the library and CsoDIAq output files. This applies only to proteins with synonyms (e.g. 3/sp|Q01813|PFKAP_HUMAN/sp|P17858|PFKAL_HUMA…
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Hi Vadim,
Hope this message finds you well.
I am currently searching in DIA-NN using two proteomes- mouse and human, making the search space rather large. Do you have any advice on how to make the…
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Hello,
I want to perform flexible docking. However, when I run `vina`, the job doesn't proceed. No error is raised. I checked the rigid and flexible parts of the receptor, and it seems like somethi…
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As reported in https://github.com/NCATSTranslator/Feedback/issues/953, [UMLS:C0920288 "C-KIT Gene"](https://uts.nlm.nih.gov/uts/umls/concept/C0920288) should be a synonym of [NCBIGene:3815 "KIT"](http…
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Hello,
From the README, it is not clear how to supply a protein or a list thereof for training/inference. Could you clarify:
- how to supply inputs (proteins for --site, protein pairs for --search)
…
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- The uniprot database (http://www.uniprot.org/) contains information about proteins. The goal is to download information about malGlo and malSym proteins, parse out info about particular regions and …
mrshu updated
6 years ago