blob: 9b8e7cb6a9942caacf35befa6aef6729524ed52a (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
|
{% extends 'base.html' %}
{% block main %}
<h1>SMILES Search</h1>
<p>Get Compound SMILES through PubChem.</p>
<form action="{{ url_for('pubchem') }}" method="post" enctype="multipart/form-data">
{% include 'flash_messages.html' %}
{{ form.csrf_token }}
<div class="form-row">
{{ form.query.label }}
{{ form.query(class="form-control")}}
</div>
<!--<div class="form-row">
{\{ form.modelSelection.label }}
{\{ form.modelSelection(class="form-control")}}
</div>-->
<br>
<div class="form-row">
<button type="submit" class="btn btn-primary">Search</button>
</div>
</form>
{% if result %}
<h3>Search Results</h3>
{% for x in range(result|length) %}
<!--<i>{\{result}}</i>-->
<!--<p>{{result[x]}}</p>-->
<div class="card mb-3">
<div class="row no-gutters">
<div class="col-md-4 text-white bg-dark">
<div class="card-body">
<img src="https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/{{result[x]['CID']}}/PNG" class="card-img">
</div>
</div>
<div class="col-md-8">
<div class="card-body">
<h5 class="card-title"><b>CID:</b> <a href="https://pubchem.ncbi.nlm.nih.gov/compound/{{result[x]['CID']}}">{{result[x]["CID"]}}</a></h5>
<p class="card-text"><b>Canonical SMILES: </b>{{result[x]["CanonicalSMILES"]}}</p>
<p class="card-text"><b>Isomeric SMILES: </b>{{result[x]["IsomericSMILES"]}}</p>
<p class="card-text"><b>2D Fingerprint </b>{{result[x]["Fingerprint2D"]}}</p>
</div>
</div>
</div>
</div>
{% endfor %}
{% endif %}
{% endblock %}
|
