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We used to have mda.fetch_mmtf() to get a structure from the PDB but with the demise of MMTF, this was removed around release 2.6 or so.
mda.fetch_mmtf()
It would be very convenient to have mda.fetch_pdb(PDB_ID) to create a Universe from the entry in the Protein Databank with ID PDB_ID.
mda.fetch_pdb(PDB_ID)
PDB_ID
VMD (load molecule), pymol (fetch) and Chimera (fetch by ID) can do this.
Alternatively, keep using this bash script or wget/curl.
wget
curl
We will need the mmcif reader #2367 .
See also #3377 (fetch from alphafold database).
The text was updated successfully, but these errors were encountered:
I have downloading / fetching from PDB and AFDB in Molecular Nodes here: https://github.com/BradyAJohnston/MolecularNodes/blob/main/molecularnodes/download.py
Would be happy to work on implementation for MDA.
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Is your feature request related to a problem?
We used to have
mda.fetch_mmtf()
to get a structure from the PDB but with the demise of MMTF, this was removed around release 2.6 or so.Describe the solution you'd like
It would be very convenient to have
mda.fetch_pdb(PDB_ID)
to create a Universe from the entry in the Protein Databank with IDPDB_ID
.Describe alternatives you've considered
VMD (load molecule), pymol (fetch) and Chimera (fetch by ID) can do this.
Alternatively, keep using this bash script or
wget
/curl
.Additional context
We will need the mmcif reader #2367 .
See also #3377 (fetch from alphafold database).
The text was updated successfully, but these errors were encountered: