Wolfram Function Repository
Instant-use add-on functions for the Wolfram Language
Function Repository Resource:
Import protein data in the Protein Data Bank (PDB) format
ResourceFunction["PDBImport"][src] applies a PDB import to the source src. | |
ResourceFunction["PDBImport"][src,"String"] imports protein data from the source src as a string of PDB format. | |
ResourceFunction["PDBImport"][src, "AtomAssociation"] imports a protein atom Association from the source src in the RCSB Protein Data Bank format. | |
ResourceFunction["PDBImport"][src,row] imports a protein atom starting from the specified row. | |
ResourceFunction["PDBImport"][provider→identifier,…] imports the protein data from the given provider with the identifer appropriate to that provider. |
Import a PDB file corresponding to an RCSB ID:
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Import an Association of atomic properties corresponding to an RCSB ID:
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Extract the x-coordinates:
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Extract the atom types:
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Extract the atomic masses:
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Import an RCSB data file starting from row 154:
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Extract the x-coordinates:
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Extract the atom types:
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Import an RCSB data file as a PDB string:
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Extract the x-coordinates using PDB import (which converts to picometers):
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Extract the atom types:
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Extract a protein chain and calculate the center of mass of its subunits:
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Plot the center of mass of the subunits:
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