GLYCAM-Web / GLYCAM-Web/GLYCAM_Delegator_Docker
Expand the container to generate 3D structures of glyoproteins
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Description
Extend the container and running instructions to allow the generation of glycoproteins in batch mode. The proposed input is the following file:
[human_glycosylation_sites_rcsb_pdb_glycam_merge.csv](https://github.com/user-attachments/files/24314720/human_glycosylation_sites_rcsb_pdb_glycam_merge.csv)
A PDB file can have multiple rows that make one glycoprotein. All entries in the file with the same PDB ID (`pdb_id`) are part of one model. Each row describes one glycan (`sequence_glycam_iupac`) and its attachment site (`amino_acid_chain`, `start_pos`, `start_aa`). Where `start_pos` is the amino acid position in the protein sequence and `start_aa` the corresponding 3-letter code of the amino acid.
If a different format (e.g. JSON) is preferred, let us know.
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