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fixup! Restructure example gallery
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padix-key committed Apr 19, 2024
1 parent 60e4abf commit c4273d5
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Showing 9 changed files with 15 additions and 14 deletions.
6 changes: 3 additions & 3 deletions doc/examples/scripts/sequence/1_homology/plotepiscan.py
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Expand Up @@ -40,7 +40,7 @@
import biotite.sequence.io.fasta as fasta

# Path to the data files
array_seq_path = "../../download/Array_Seq.txt"
array_seq_path = "../../../download/Array_Seq.txt"

fasta_file = fasta.FastaFile.read(array_seq_path)

Expand Down Expand Up @@ -99,8 +99,8 @@ def read_scan(filename, pep_len=20, score_res=20):
return df

# Load epitope scan data
fcr3_file_path = "../../download/FCR3_10ug.csv"
nf54_file_path = "../../download/NF54_10ug.csv"
fcr3_file_path = "../../../download/FCR3_10ug.csv"
nf54_file_path = "../../../download/NF54_10ug.csv"

# Define the score residues on the arrays
files = [fcr3_file_path, nf54_file_path]
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2 changes: 1 addition & 1 deletion doc/examples/scripts/structure/4_contacts/leaflet.py
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Expand Up @@ -30,7 +30,7 @@

# The bilayer structure file can be downloaded from
# http://www.charmm-gui.org/archive/pure_bilayer/dppc.tar.gz
PDB_FILE_PATH = "../../download/dppc_n128.pdb"
PDB_FILE_PATH = "../../../download/dppc_n128.pdb"


def find_leaflets(structure, head_atom_mask,
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4 changes: 2 additions & 2 deletions doc/examples/scripts/structure/6_modeling/md_analysis.py
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Expand Up @@ -30,8 +30,8 @@
import matplotlib.pyplot as plt

# Put here the path of the downloaded files
templ_file_path = "../../download/lysozyme_md.pdb"
traj_file_path = "../../download/lysozyme_md.xtc"
templ_file_path = "../../../download/lysozyme_md.pdb"
traj_file_path = "../../../download/lysozyme_md.xtc"

# Gromacs does not set the element symbol in its PDB files,
# but Biotite guesses the element names from the atom names,
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Expand Up @@ -34,7 +34,7 @@
import os.path

# Put here the path of the downloaded trajectory file
xtc_file_path = "../../download/lysozyme_md.xtc"
xtc_file_path = "../../../download/lysozyme_md.xtc"

xtc_file = xtc.XTCFile.read(xtc_file_path)
coord = xtc_file.get_coord()
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2 changes: 1 addition & 1 deletion doc/examples/scripts/structure/6_modeling/normal_modes.py
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Expand Up @@ -43,7 +43,7 @@


# A CSV file containing the eigenvectors for the CA atoms
VECTOR_FILE = "../../download/glycosylase_anm_vectors.csv"
VECTOR_FILE = "../../../download/glycosylase_anm_vectors.csv"
# The corresponding structure
PDB_ID = "1MUG"
# The normal mode to be visualized
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4 changes: 2 additions & 2 deletions doc/examples/scripts/structure/6_modeling/solvation_shells.py
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Expand Up @@ -33,8 +33,8 @@
import biotite.structure.io as strucio

# Put here the path of the downloaded files
templ_file_path = "../../download/waterbox_md.pdb"
traj_file_path = "../../download/waterbox_md.xtc"
templ_file_path = "../../../download/waterbox_md.pdb"
traj_file_path = "../../../download/waterbox_md.xtc"

# Load the trajectory
traj = strucio.load_structure(traj_file_path, template=templ_file_path)
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4 changes: 2 additions & 2 deletions doc/examples/scripts/structure/6_modeling/trajectory_sse.py
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Expand Up @@ -26,8 +26,8 @@


# Put here the path of the downloaded files
templ_file_path = "../../download/lysozyme_md.pdb"
traj_file_path = "../../download/lysozyme_md.xtc"
templ_file_path = "../../../download/lysozyme_md.pdb"
traj_file_path = "../../../download/lysozyme_md.xtc"


xtc_file = xtc.XTCFile.read(traj_file_path)
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Expand Up @@ -18,6 +18,8 @@
example.
However, the trajectories are based of publicly accessible structures
of the open (PDB: 7NP3) and closed (PDB: 7NP4) state.
.. image:: ../../../scripts/structure/6_modeling/water_exchange.png
"""

# Code source: Daniel Bauer, Patrick Kunzmann
Expand Down Expand Up @@ -112,5 +114,4 @@ def cum_water_in_pore(traj, cutoff=6, key_residues=(507, 511)):
va="center")
fig.savefig("water_exchange.png", bbox_inches="tight")

# sphinx_gallery_static_image = "water_exchange.png"
plt.show()
2 changes: 1 addition & 1 deletion doc/index.rst
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Expand Up @@ -69,7 +69,7 @@ Biotite documentation

.. grid-item::

.. button-ref:: examples/gallery/index
.. button-ref:: examples/index
:color: primary
:outline:
:expand:
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