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## Expected Behavior
I was testing foldseek multimer search on these two structurally similar PDBs obtained from RCSB PDB (also tried PDB-redo). However, the results are not returned as the files a…
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Some structures only have a .cif format on rcsb.org but our automated scripts break on .cif files so a converter is needed that is called in the fetch_pdb_info function in construct/functions.py.
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Hi there,
I installed on a M1 Pro machine with 32GB memory like so:
conda create --name omega
conda activate omega
conda install ipython
conda install biopython
git clone https://github.com/…
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The parser modules are being used in the separate workflows repo and here, which indicates that they've now matured into being a separate library package. Therefore we need to move those modules to a…
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Currently, the priority is to make sure the main function `read_pdbx` works for all the PDBx files in RCSB and SIFTS.
Further enhancements will be:
1. Write back to PDBx and PDB file format. The…
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Pictures of targets/compounds are missing in Explorer.
You can see it here:
http://alpha.openphacts.org:3001/compounds?uri=http%3A%2F%2Fpurl.obolibrary.org%2Fobo%2FCHEBI_47381
http://alpha.openp…
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After discussion on the nf-core slack, we (@ewels, @mahesh-panchal) think that it would be useful to add a native option to the `file` method to check the integrity of the files that are staged.
Usin…
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Looks like it might be useful to take out colorbrewer and make it a standalone project. Should be easy, since it is already its own submodule.
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I'm looking for a way to programmatically access the currently selected residues. I checked the methods in `viewerInstance.visual` but there was no obvious way of getting a data object.
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## Is your feature request related to a problem? ##
I would like to have access to the different symmetry operations required to build a biological assembly from a file if present. (https://pdb101.rc…