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Switched mmtf -> bcif in examples
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-7
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2 files changed

+7
-7
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doc/examples/scripts/basic_nma.py

Lines changed: 4 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -12,15 +12,15 @@
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import biotite
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import biotite.database.rcsb as rcsb
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import biotite.structure as struc
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import biotite.structure.io.mmtf as mmtf
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import biotite.structure.io.pdbx as pdbx
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import matplotlib.pyplot as plt
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import numpy as np
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import springcraft
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# Fetch G:T/U Mismatch-specific DNA glycosylase from E. coli
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PDB_ID = "1MUG"
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mmtf_file = mmtf.MMTFFile.read(rcsb.fetch(PDB_ID, "mmtf"))
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whole_structure = mmtf.get_structure(mmtf_file, model=1, include_bonds=True)
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bcif_file = pdbx.BinaryCIFFile.read(rcsb.fetch(PDB_ID, "bcif"))
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whole_structure = pdbx.get_structure(bcif_file, model=1, include_bonds=True)
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protein = whole_structure[struc.filter_amino_acids(whole_structure)]
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ca = protein[(protein.atom_name == "CA") & (protein.element == "C")]
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@@ -39,7 +39,7 @@
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freq = eanm.frequencies()[6:106]
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## Plot
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fig = plt.figure(figsize=(8.0, 8.0), constrained_layout=True)
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fig = plt.figure(figsize=(8.0, 8.0), constrained_layout=True, dpi=300)
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grid = fig.add_gridspec(nrows=2, ncols=2)
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ax00 = fig.add_subplot(grid[0, 0])

doc/examples/scripts/normal_mode.py

Lines changed: 3 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -12,7 +12,7 @@
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import ammolite
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import biotite.database.rcsb as rcsb
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import biotite.structure as struc
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import biotite.structure.io.mmtf as mmtf
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import biotite.structure.io.pdbx as pdbx
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import numpy as np
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import springcraft
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@@ -31,8 +31,8 @@
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# Load structure
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mmtf_file = mmtf.MMTFFile.read(rcsb.fetch(PDB_ID, "mmtf"))
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structure = mmtf.get_structure(mmtf_file, model=1, include_bonds=True)
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bcif_file = pdbx.BinaryCIFFile.read(rcsb.fetch(PDB_ID, "bcif"))
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structure = pdbx.get_structure(bcif_file, model=1, include_bonds=True)
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# Filter first peptide chain
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protein_chain = structure[

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