diff options
Diffstat (limited to 'app/templates')
| -rw-r--r-- | app/templates/base.html | 9 | ||||
| -rw-r--r-- | app/templates/dock_upload_single.html | 43 | ||||
| -rw-r--r-- | app/templates/generate.html | 2 | ||||
| -rw-r--r-- | app/templates/home.html | 25 |
4 files changed, 70 insertions, 9 deletions
diff --git a/app/templates/base.html b/app/templates/base.html index d116ee3..dcae79c 100644 --- a/app/templates/base.html +++ b/app/templates/base.html @@ -68,15 +68,16 @@ <div class="col-sm-6 col-md-3 item"> <h3>Features</h3> <ul> - <li><a href="#">Dock and Report</a></li> - <li><a href="#">PubMed Search</a></li> + <li><a href="{{ url_for('dock_upload') }}">Dock and Report (Manual)</a></li> + <li><a href="{{ url_for('dock_upload_single') }}">Dock and Report (Automatic)</a></li> + <li><a href="{{ url_for('pubmed') }}">PubMed Search</a></li> </ul> </div> <div class="col-sm-6 col-md-3 item"> <h3>Beta Features</h3> <ul> - <li><a href="#">LSTM Generator</a></li> - <li><a href="#">Visualiser</a></li> + <li><a href="{{ url_for('generate') }}">LSTM Generator</a></li> + <li><a href="{{ url_for('visualise') }}">Visualiser</a></li> </ul> </div> <div class="col-md-6 item text"> diff --git a/app/templates/dock_upload_single.html b/app/templates/dock_upload_single.html new file mode 100644 index 0000000..882675c --- /dev/null +++ b/app/templates/dock_upload_single.html @@ -0,0 +1,43 @@ +{% extends 'base.html' %} + +{% block main %} + <h2>Enter Your Configuration</h2> + <form action="{{ url_for('dock_upload_single') }}" method="post" enctype="multipart/form-data"> + {% include 'flash_messages.html' %} + {{ form.csrf_token }} + <div class="form-group"> + {{ form.description.label }} + {{ form.description(class="form-control") }} + </div> + <div class="form-row"> + <div class="col"> + {{ form.pdbID.label }} + {{ form.pdbID(class="form-control")}} + </div> + <div class="col"> + {{ form.smiles.label }} + {{ form.smiles(class="form-control")}} + </div> + <div class="col"> + {{ form.name.label }} + {{ form.name(class="form-control")}} + </div> + </div> + <div class="form-group"> + {{ form.email.label }} + {{ form.email(class="form-control") }} + </div> + + <button class="btn btn-primary">Upload</button> + </form> + <br> + <section> + <style> + #discovery{ + height: 40vh; + } + </style> + <div id="discovery"></div> + <script src="{{url_for('static',filename='js/discovery.js')}}"></script> + </section> +{% endblock %}
\ No newline at end of file diff --git a/app/templates/generate.html b/app/templates/generate.html index 45bbb3b..629a2a3 100644 --- a/app/templates/generate.html +++ b/app/templates/generate.html @@ -34,7 +34,7 @@ <script> SmilesDrawer.parse('{{result[0]}}', function(tree) { smilesDrawer.draw(tree, "canvas-{{x}}", "dark", false); - console.log(smilesDrawer.draw(tree, "canvas-{{x}}", "light", false)) + console.log(smilesDrawer.draw(tree, "canvas-{{x}}", "dark", false)) }); </script> {% endfor %} diff --git a/app/templates/home.html b/app/templates/home.html index 541c313..43a84cc 100644 --- a/app/templates/home.html +++ b/app/templates/home.html @@ -2,12 +2,29 @@ {% block main %} <h2>Curie Web Demo</h2> - <p>Dock and Report performs molecular docking using AutoDock Vina, generates visualisations using PyMOL and then finds protein-ligand interactions using PLIP. It then compiles all of this into a PDF report and emails it to you.</p> + <p>Curie-Web is a part of The Curie Project which aims to make the process of Computer-Aided Drug Design as fast as possible.</p> + <p>The following are the currently active modules</p> + <h3>Docking</h3> <ul> - <li><a href="{{ url_for('dock_upload') }}">Dock and Report</a></li> - <li><a href="{{ url_for('status')}}">Job Status</a></li> - <li><a href="{{ url_for('generate') }}">Generate</a></li> + <li><a href="{{ url_for('dock_upload') }}">Dock and Report (Manual)</a> - You can enter your AutoDock Vina configuration, upload the PDBQT files and it will perform the molecular docking and generate a PDF with proper visualisations and protein-interaction profillings (Using PLIP) </li> + <li><a href="{{ url_for('dock_upload_single') }}">Dock and Report (Automatic)</a> - You just enter in the PDB Code, target compound's SMILES structure and name, it will automatically find a binding location and then perform docking and report generation</li> </ul> + <h3>Drug Designing</h3> + <ul> + <li><a href="{{ url_for('generate') }}">Generate</a> - You can use this to generate completely new compounds</li> + </ul> + + <h3>Researching</h3> + <ul> + <li><a href="{{ url_for('pubmed') }}">PubMed Search</a> - Handy PubMed search with direct download links</li> + <li>Qrious App - You can enter a question for a set of papers (e.g. ChemRxiv preprints) and it uses AI to answer it for each individual paper based on their abstract</li> + </ul> + + <h3>Misc.</h3> + <ul> + <li><a href="{{ url_for('status')}}">Job Status</a> - Check the job status </li> + <li><a href="{{ url_for('visualise')}}">Visualise</a> - Molecular Viewer </li> + </ul> <img src="{{url_for('static',filename='assets/workingInALaboratory.svg')}}" /> {% endblock %}
\ No newline at end of file |