Commit 94cc324d authored by Carlos GO's avatar Carlos GO
Browse files

cite

parent 9a62aa8b
......@@ -79,6 +79,7 @@ def submitted():
os.makedirs(job_dir)
pdb = None
if 'pdb' in request.files:
try:
f = request.files['pdb']
......
......@@ -14,17 +14,20 @@ def launch(pdb_path, library_path, n_hits=30, run='rnamigos-ismb'):
MASTER launcher.
"""
_,ext = os.path.splittext(pdb_path)
if ext == '.cif':
print(f"launcher path {pdb_path}")
G = get_graph(pdb_path)
elif ext == '.json':
with open(pdb_path) as f:
data = json.load(f)
G = nx.node_link_data(data)
if pdb_path is None:
G = nx.read_gpickle(os.path.join("static", "samples", "1aju_arg.nx"))
else:
raise ValueError("Invalid input file type.")
_,ext = os.path.splittext(pdb_path)
if ext == '.cif':
print(f"launcher path {pdb_path}")
G = get_graph(pdb_path)
elif ext == '.json':
with open(pdb_path) as f:
data = json.load(f)
G = nx.node_link_data(data)
else:
raise ValueError("Invalid input file type.")
print("LOADING MODEL")
run = 'ismb-tune_0'
......@@ -32,8 +35,6 @@ def launch(pdb_path, library_path, n_hits=30, run='rnamigos-ismb'):
fp_pred,_ = inference_on_graph(model, G, meta['edge_map'])
print("LOADING LIBRARY")
# library = pickle.load(open(os.path.join("static", "libraries", "pdb_rna.p"), 'rb'))
if library_path is None:
library = pickle.load(open(os.path.join("static", "library", "all_rna_pdb.p"), 'rb'))
else:
......
......@@ -139,5 +139,5 @@ You can then download the full list of distances to each element in the library
<h1>Contact </h1>
<code>cgoliver[at][protonmail][dotcom]
<code>rnamigos@cs.mcgill.ca</code>
{% endblock body %}
......@@ -36,6 +36,15 @@ Carlos G. Oliver (cgoliver[at]protonmail(dotcom))<br>
<input type="submit" id="query_submit" value="Find Ligands">
</form>
</div>
<h1>Citing</h1>
Augmented base pairing networks encode RNA-small molecule binding preferences<br>
Carlos Oliver, Vincent Mallet, Roman Sarrazin Gendron, Vladimir Reinharz, William L. Hamilton, Nicolas Moitessier, Jerome Waldispuhl<br>
bioRxiv 701326; doi: https://doi.org/10.1101/701326
</body>
{% endblock body %}
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