-
### Question
Hi, I am loading a JNLPBA dataset from the Flair library, and I would like to keep only the protein mentions, renaming them as "Gene." Additionally, I want to remove all other labels d…
-
Thanks for your work. However, as I tried to conduct protein structure clustering, the program always returns clusters based on proteins' substructure. I am wondering how can I get the cluster based o…
-
retrograde protein transport, ER to cytosol (GO:0030970)
is defined
The directed movement of unfolded or misfolded proteins from the endoplasmic reticulum to the cytosol through the translocon. …
-
**Describe the bug**
Updating an atom's residue-relevant metadata does not update the same data on the corresponding residue object. Editing the residue also doesn't update the atom. I'm not sure…
-
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…
-
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…
-
## Expected behavior ##
Return the expected SASA per residue.
## Actual behavior ##
```
File /mdakit_sasa/analysis/sasaanalysis.py:99, in SASAAnalysis._single_frame(self)
96 residue_are…
-
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…
-
Dear Vadim,
thank you for developing diann. We think it is awesome and use it a lot :)
Recently, we started having a look also at the diann-r package.
We wanted to try to compute the MaxLFQ value…
-
Hello,
Thanks for creating this software. We're interest in generating conformers from a directory of folded proteins. How can we do this?