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I have been experiencing some errors with the output of VaxignML when there are filtered sequences and I have noticed 2 bugs:
- When all the sequences are filtered (first I didn't realize they had t…
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I would be super convenient and useful when you could iterate over residues on peptides/residues read from PBD files. I would suggest something like:
- Mol.GetResidues() -> iterator, like GetAtoms()
-…
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Hello,
I have been attempting to dock a ligand library using:
/home/username/Desktop/DSDPFlex_Clone/DSDPFlex/bin/DSDPflex \
--ligand_batch /home/username/Desktop/DSDPFlex_KynLib/KynLib_Gypsum_Li…
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For each of the following, do blobs change height and color as expected:
- [x] When the mutation button is checked with a SNP
- [x] After adjusting the hydropathy slider
- [x] After adjusting the…
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Related to #20 and the issues mentioned in there, I would suggest to extend ModelCIF to capture all new types of quality estimates introduced with AlphaFold 3 (AF3). I also had a look at RoseTTAFold-A…
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Hello,
Does BARNABA have the ability to read modified residues. And can it calculate features of these residues like eRMSD, RMSD and gvectors? If yes, how?
Thank you,
Tia
ghost updated
4 years ago
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# The problem
I encoutered some problems when trying to load PDB files that do not have bonds information and more than one chain identifier, such as
```
REMARK original generated coordinate pdb…
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To streamline the code in places (especially with links) it would be good to have a ResidueID class, that combines the residue number, name and chain, and/or has a reference to the actual molecule. Th…
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How can I hide all ligands and show a specific one using transparency? I want to allow the user to visualize just a particular ligand that they select from the option list.
const c…
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Hi,
Is there any example showing how to label residues,Thanks