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Commit 4c19f646 authored by Bryan BRANCOTTE's avatar Bryan BRANCOTTE
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factorize row construction of cavities and sub cavities

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2 merge requests!45Async near cavities,!43K8S deployments of release branche, and other updates
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ippisite/ippidb/templates/targetcentric.html
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...@@ -236,230 +236,8 @@ Comparison and druggability prediction of protein-ligand binding sites from phar ...@@ -236,230 +236,8 @@ Comparison and druggability prediction of protein-ligand binding sites from phar
{% with chaincount=forloop.counter %} {% with chaincount=forloop.counter %}
{% for cavity in cavities %} {% for cavity in cavities %}
{% with cavcount=forloop.counter %} {% with cavcount=forloop.counter %}
<tr id="cavity_{{ cavity.id }}" class="table-light" > {% include "targetcentric_cavity_row.html" with chaincount=chaincount cavcount=cavcount %}
<th class="zui-sticky-col text-nowrap"> {% include "targetcentric_near_cavities.html" with object=cavity %}
<i class="far fa-plus-square" style="cursor: pointer;" data-toggle="collapse" data-target=".collapseme{{ chaincount }}_{{ cavcount }}"></i>
<a target="_blank" rel="noopener noreferrer" href="{% url 'cavities' %}?pdbsearch={{ cavity.chain.pdb.code }}">{{ cavity.chain.pdb.code }}</a>
/
<span class="dropdown">
<div class="dropbtn" data-toggle="dropdown" title="uniprot: {{ cavity.chain.protein.uniprot_id }}">
{{ cavity.chain.pdb_chain_id }} | {{ cavity.chain.protein.short_name }}
</div>
<div class="dropdown-content">
<a target="_blank" rel="noopener noreferrer" href="{% url 'cavities' %}?uniprotid={{ cavity.chain.protein.uniprot_id }}">Query UniprotID in pockets</a>
<a target="_blank" rel="noopener noreferrer" href="{% url 'compound_list' %}?uniprot_id={{ cavity.chain.protein.uniprot_id }}">Query UniprotID as iPPI-DB target</a>
</div>
</span>
/
<span class="dropdown">
<div class="dropbtn" data-toggle="dropdown">
{{ cavity.cavity_number }}
</div>
<div class="dropdown-content">
<a target="_blank" rel="noopener noreferrer" href="{% url 'networks' %}?search={{ cavity|build_name }}"> Query pocket in pocketome</a>
</div>
</span>
::
{% if cavity.partner.ligand %}
<span class="dropdown">
<div class="dropbtn" data-toggle="dropdown" title="smiles: {{ cavity.partner.ligand.canonical_smile }}">
{{ cavity.partner.ligand.pdb_ligand_id }}_{{ cavity.partner.ligand.supplementary_id }}
</div>
<div class="dropdown-content">
<a target="_blank" rel="noopener noreferrer" href="{% url 'cavities' %}?ligandcode={{ cavity.partner.ligand.pdb_ligand_id }}">Query ligand ID in pockets</a>
<a target="_blank" rel="noopener noreferrer" href="{% url 'compound_list' %}?similar_to=ECFP4:{{ cavity.partner.ligand.canonical_smile|urlencode }}">Query SMILES in iPPI-DB compounds</a>
</div>
</span>
{% else %}
<span class="dropdown">
<div class="dropbtn" data-toggle="dropdown" title="uniprot: {{ cavity.partner.chain.protein.uniprot_id }}">
{{ cavity.partner.chain.pdb_chain_id }} | {{ cavity.partner.chain.protein.short_name }}
</div>
<div class="dropdown-content">
<a target="_blank" rel="noopener noreferrer" href="{% url 'cavities' %}?uniprotid={{ cavity.partner.chain.protein.uniprot_id }}">Query UniprotID in pockets</a>
<a target="_blank" rel="noopener noreferrer" href="{% url 'compound_list' %}?uniprot_id={{ cavity.partner.chain.protein.uniprot_id }}">Query UniprotID as iPPI-DB target</a>
</div>
</span>
{% endif %}
</th>
<td>{% if cavity.partner.ligand %}PL{% else %}HD{% endif %}</td>
<td>{{ cavity.volume|floatformat:0 }}</td>
<td>{{ cavity.npr1|floatformat:2 }}</td>
<td>{{ cavity.npr2|floatformat:2 }}</td>
<td>{{ cavity.asphericity|floatformat:2 }}</td>
<td>{{ cavity.eccentricity|floatformat:2 }}</td>
<td>{{ cavity.rgyr|floatformat:2 }}</td>
<td>{{ cavity.spherocityindex|floatformat:2 }}</td>
<td>{{ cavity.ca|floatformat:1 }}</td>
<td>{{ cavity.cz|floatformat:1 }}</td>
<td>{{ cavity.n|floatformat:1 }}</td>
<td>{{ cavity.o|floatformat:1 }}</td>
<td>{{ cavity.og|floatformat:1 }}</td>
<td>{{ cavity.nz|floatformat:1 }}</td>
<td>{{ cavity.od1|floatformat:1 }}</td>
<td>{{ cavity.du|floatformat:1 }}</td>
<td>{{ cavity.t40|floatformat:1 }}</td>
<td>{{ cavity.t40_50|floatformat:1 }}</td>
<td>{{ cavity.t50_60|floatformat:1 }}</td>
<td>{{ cavity.t60_70|floatformat:1 }}</td>
<td>{{ cavity.t70_80|floatformat:1 }}</td>
<td>{{ cavity.t80_90|floatformat:1 }}</td>
<td>{{ cavity.t90_100|floatformat:1 }}</td>
<td>{{ cavity.t100_110|floatformat:1 }}</td>
<td>{{ cavity.t110_120|floatformat:1 }}</td>
<td>{{ cavity.t120|floatformat:1 }}</td>
</tr>
{% for distance in cavity.near_cavities %}
{% if cavity == distance.cavity1 %}
<tr class="collapse out collapseme{{ chaincount }}_{{ cavcount }}" style="background-color:rgb({{ distance.distance|get_zscore:avg_std|get_color }})">
<th class="zui-sticky-col text-nowrap">
<a title="{{ distance.distance|get_zscore:avg_std|floatformat:3|intcomma }}" target="_blank" rel="noopener noreferrer" href="{% url 'cavities' %}?pdbsearch={{ distance.cavity2.chain.pdb.code }}">{{ distance.cavity2.chain.pdb.code }}</a>
/
<span class="dropdown">
<div class="dropbtn" data-toggle="dropdown" title="uniprot: {{ distance.cavity2.chain.protein.uniprot_id }}">
{{ distance.cavity2.chain.pdb_chain_id }} | {{ distance.cavity2.chain.protein.short_name }}
</div>
<div class="dropdown-content">
<a target="_blank" rel="noopener noreferrer" href="{% url 'cavities' %}?uniprotid={{ distance.cavity2.chain.protein.uniprot_id }}">Query UniprotID in pockets</a>
<a target="_blank" rel="noopener noreferrer" href="{% url 'compound_list' %}?uniprot_id={{ distance.cavity2.chain.protein.uniprot_id }}">Query UniprotID as iPPI-DB target</a>
</div>
</span>
/
<span class="dropdown">
<div class="dropbtn" data-toggle="dropdown">
{{ distance.cavity2.cavity_number }}
</div>
<div class="dropdown-content">
<a target="_blank" rel="noopener noreferrer" href="{% url 'networks' %}?search={{ distance.cavity2|build_name }}"> Query pocket in pocketome</a>
</div>
</span>
::
{% if distance.cavity2.partner.ligand %}
<span class="dropdown">
<div class="dropbtn" data-toggle="dropdown" title="smiles: {{ distance.cavity2.partner.ligand.canonical_smile }}">
{{ distance.cavity2.partner.ligand.pdb_ligand_id }}_{{ distance.cavity2.partner.ligand.supplementary_id }}
</div>
<div class="dropdown-content">
<a target="_blank" rel="noopener noreferrer" href="{% url 'cavities' %}?ligandcode={{ distance.cavity2.partner.ligand.pdb_ligand_id }}">Query ligand ID in pockets</a>
<a target="_blank" rel="noopener noreferrer" href="{% url 'compound_list' %}?similar_to=ECFP4:{{ distance.cavity2.partner.ligand.canonical_smile|urlencode }}">Query SMILES in iPPI-DB compounds</a>
</div>
</span>
{% else %}
<span class="dropdown">
<div class="dropbtn" data-toggle="dropdown" title="uniprot: {{ distance.cavity2.partner.chain.protein.uniprot_id }}">
{{ distance.cavity2.partner.chain.pdb_chain_id }} | {{ distance.cavity2.partner.chain.protein.short_name }}
</div>
<div class="dropdown-content">
<a target="_blank" rel="noopener noreferrer" href="{% url 'cavities' %}?uniprotid={{ distance.cavity2.partner.chain.protein.uniprot_id }}">Query UniprotID in pockets</a>
<a target="_blank" rel="noopener noreferrer" href="{% url 'compound_list' %}?uniprot_id={{ distance.cavity2.partner.chain.protein.uniprot_id }}">Query UniprotID as iPPI-DB target</a>
</div>
</span>
{% endif %}
</th>
<td>{% if distance.cavity2.partner.ligand %}PL{% else %}HD{% endif %}</td>
<td>{{ distance.cavity2.volume|floatformat:0 }}</td>
<td>{{ distance.cavity2.npr1|floatformat:2 }}</td>
<td>{{ distance.cavity2.npr2|floatformat:2 }}</td>
<td>{{ distance.cavity2.asphericity|floatformat:2 }}</td>
<td>{{ distance.cavity2.eccentricity|floatformat:2 }}</td>
<td>{{ distance.cavity2.rgyr|floatformat:2 }}</td>
<td>{{ distance.cavity2.spherocityindex|floatformat:2 }}</td>
<td>{{ distance.cavity2.ca|floatformat:1 }}</td>
<td>{{ distance.cavity2.cz|floatformat:1 }}</td>
<td>{{ distance.cavity2.n|floatformat:1 }}</td>
<td>{{ distance.cavity2.o|floatformat:1 }}</td>
<td>{{ distance.cavity2.og|floatformat:1 }}</td>
<td>{{ distance.cavity2.nz|floatformat:1 }}</td>
<td>{{ distance.cavity2.od1|floatformat:1 }}</td>
<td>{{ distance.cavity2.du|floatformat:1 }}</td>
<td>{{ distance.cavity2.t40|floatformat:1 }}</td>
<td>{{ distance.cavity2.t40_50|floatformat:1 }}</td>
<td>{{ distance.cavity2.t50_60|floatformat:1 }}</td>
<td>{{ distance.cavity2.t60_70|floatformat:1 }}</td>
<td>{{ distance.cavity2.t70_80|floatformat:1 }}</td>
<td>{{ distance.cavity2.t80_90|floatformat:1 }}</td>
<td>{{ distance.cavity2.t90_100|floatformat:1 }}</td>
<td>{{ distance.cavity2.t100_110|floatformat:1 }}</td>
<td>{{ distance.cavity2.t110_120|floatformat:1 }}</td>
<td>{{ distance.cavity2.t120|floatformat:1 }}</td>
</tr>
{% elif cavity == distance.cavity2 %}
<tr class="collapse out collapseme{{ chaincount }}_{{ cavcount }}" style="background-color:rgb({{ distance.distance|get_zscore:avg_std|get_color }})">
<th class="zui-sticky-col text-nowrap">
<a title="{{ distance.distance|get_zscore:avg_std|floatformat:3|intcomma }}" target="_blank" rel="noopener noreferrer" href="{% url 'cavities' %}?pdbsearch={{ distance.cavity1.chain.pdb.code }}">{{ distance.cavity1.chain.pdb.code }}</a>
/
<span class="dropdown">
<div class="dropbtn" data-toggle="dropdown" title="uniprot: {{ distance.cavity1.chain.protein.uniprot_id }}">
{{ distance.cavity1.chain.pdb_chain_id }} | {{ distance.cavity1.chain.protein.short_name }}
</div>
<div class="dropdown-content">
<a target="_blank" rel="noopener noreferrer" href="{% url 'cavities' %}?uniprotid={{ distance.cavity1.chain.protein.uniprot_id }}">Query UniprotID in pockets</a>
<a target="_blank" rel="noopener noreferrer" href="{% url 'compound_list' %}?uniprot_id={{ distance.cavity1.chain.protein.uniprot_id }}">Query UniprotID as iPPI-DB target</a>
</div>
</span>
/
<span class="dropdown">
<div class="dropbtn" data-toggle="dropdown">
{{ distance.cavity1.cavity_number }}
</div>
<div class="dropdown-content">
<a target="_blank" rel="noopener noreferrer" href="{% url 'networks' %}?search={{ distance.cavity1|build_name }}"> Query pocket in pocketome</a>
</div>
</span>
::
{% if distance.cavity1.partner.ligand %}
<span class="dropdown">
<div class="dropbtn" data-toggle="dropdown" title="smiles: {{ distance.cavity1.partner.ligand.canonical_smile }}">
{{ distance.cavity1.partner.ligand.pdb_ligand_id }}_{{ distance.cavity1.partner.ligand.supplementary_id }}
</div>
<div class="dropdown-content">
<a target="_blank" rel="noopener noreferrer" href="{% url 'cavities' %}?ligandcode={{ distance.cavity1.partner.ligand.pdb_ligand_id }}">Query ligand ID in pockets</a>
<a target="_blank" rel="noopener noreferrer" href="{% url 'compound_list' %}?similar_to=ECFP4:{{ distance.cavity1.partner.ligand.canonical_smile|urlencode }}">Query SMILES in iPPI-DB compounds</a>
</div>
</span>
{% else %}
<span class="dropdown">
<div class="dropbtn" data-toggle="dropdown" title="uniprot: {{ distance.cavity1.partner.chain.protein.uniprot_id }}">
{{ distance.cavity1.partner.chain.pdb_chain_id }} | {{ distance.cavity1.partner.chain.protein.short_name }}
</div>
<div class="dropdown-content">
<a target="_blank" rel="noopener noreferrer" href="{% url 'cavities' %}?uniprotid={{ distance.cavity1.partner.chain.protein.uniprot_id }}">Query UniprotID in pockets</a>
<a target="_blank" rel="noopener noreferrer" href="{% url 'compound_list' %}?uniprot_id={{ distance.cavity1.partner.chain.protein.uniprot_id }}">Query UniprotID as iPPI-DB target</a>
</div>
</span>
{% endif %}
</th>
<td>{% if distance.cavity1.partner.ligand %}PL{% else %}HD{% endif %}</td>
<td>{{ distance.cavity1.volume|floatformat:0 }}</td>
<td>{{ distance.cavity1.npr1|floatformat:2 }}</td>
<td>{{ distance.cavity1.npr2|floatformat:2 }}</td>
<td>{{ distance.cavity1.asphericity|floatformat:2 }}</td>
<td>{{ distance.cavity1.eccentricity|floatformat:2 }}</td>
<td>{{ distance.cavity1.rgyr|floatformat:2 }}</td>
<td>{{ distance.cavity1.spherocityindex|floatformat:2 }}</td>
<td>{{ distance.cavity1.ca|floatformat:1 }}</td>
<td>{{ distance.cavity1.cz|floatformat:1 }}</td>
<td>{{ distance.cavity1.n|floatformat:1 }}</td>
<td>{{ distance.cavity1.o|floatformat:1 }}</td>
<td>{{ distance.cavity1.og|floatformat:1 }}</td>
<td>{{ distance.cavity1.nz|floatformat:1 }}</td>
<td>{{ distance.cavity1.od1|floatformat:1 }}</td>
<td>{{ distance.cavity1.du|floatformat:1 }}</td>
<td>{{ distance.cavity1.t40|floatformat:1 }}</td>
<td>{{ distance.cavity1.t40_50|floatformat:1 }}</td>
<td>{{ distance.cavity1.t50_60|floatformat:1 }}</td>
<td>{{ distance.cavity1.t60_70|floatformat:1 }}</td>
<td>{{ distance.cavity1.t70_80|floatformat:1 }}</td>
<td>{{ distance.cavity1.t80_90|floatformat:1 }}</td>
<td>{{ distance.cavity1.t90_100|floatformat:1 }}</td>
<td>{{ distance.cavity1.t100_110|floatformat:1 }}</td>
<td>{{ distance.cavity1.t110_120|floatformat:1 }}</td>
<td>{{ distance.cavity1.t120|floatformat:1 }}</td>
</tr>
{% endif %}
{% endfor %}
{% endwith %} {% endwith %}
{% endfor %} {% endfor %}
{% endwith %} {% endwith %}
......
ippisite/ippidb/templates/targetcentric_cavity_row.html 0 → 100644
+ 87
− 0
View file @ 4c19f646
{% load customtags %}
{% load humanize %}
<tr XXXid="cavity_{{ cavity.id }}"
{%if near_cavity %}
class="collapse out collapseme{{ chaincount }}_{{ cavcount }}"
style="background-color:rgb({{ score|get_color }})"
{%else%}
class="table-light"
{%endif%}>
<th class="zui-sticky-col text-nowrap">
{%if not near_cavity %}
<i class="far fa-plus-square" style="cursor: pointer;" data-toggle="collapse" data-target=".collapseme{{ chaincount }}_{{ cavcount }}"
onclick="loadNearCavityRows($('.asnyc-construction[data-cavity-id={{ cavity.id }}]:not(loading)'));"></i>
{%endif%}
<a {%if score %} title="{{ score|floatformat:3|intcomma }}" {%endif%}
target="_blank"
rel="noopener noreferrer"
href="{% url 'cavities' %}?pdbsearch={{ cavity.chain.pdb.code }}">{{ cavity.chain.pdb.code }}</a>
/
<span class="dropdown">
<div class="dropbtn" data-toggle="dropdown" title="uniprot: {{ cavity.chain.protein.uniprot_id }}">
{{ cavity.chain.pdb_chain_id }} | {{ cavity.chain.protein.short_name }}
</div>
<div class="dropdown-content">
<a target="_blank" rel="noopener noreferrer" href="{% url 'cavities' %}?uniprotid={{ cavity.chain.protein.uniprot_id }}">Query UniprotID in pockets</a>
<a target="_blank" rel="noopener noreferrer" href="{% url 'compound_list' %}?uniprot_id={{ cavity.chain.protein.uniprot_id }}">Query UniprotID as iPPI-DB target</a>
</div>
</span>
/
<span class="dropdown">
<div class="dropbtn" data-toggle="dropdown">
{{ cavity.cavity_number }}
</div>
<div class="dropdown-content">
<a target="_blank" rel="noopener noreferrer" href="{% url 'networks' %}?search={{ cavity|build_name }}"> Query pocket in pocketome</a>
</div>
</span>
::
{% if cavity.partner.ligand %}
<span class="dropdown">
<div class="dropbtn" data-toggle="dropdown" title="smiles: {{ cavity.partner.ligand.canonical_smile }}">
{{ cavity.partner.ligand.pdb_ligand_id }}_{{ cavity.partner.ligand.supplementary_id }}
</div>
<div class="dropdown-content">
<a target="_blank" rel="noopener noreferrer" href="{% url 'cavities' %}?ligandcode={{ cavity.partner.ligand.pdb_ligand_id }}">Query ligand ID in pockets</a>
<a target="_blank" rel="noopener noreferrer" href="{% url 'compound_list' %}?similar_to=ECFP4:{{ cavity.partner.ligand.canonical_smile|urlencode }}">Query SMILES in iPPI-DB compounds</a>
</div>
</span>
{% else %}
<span class="dropdown">
<div class="dropbtn" data-toggle="dropdown" title="uniprot: {{ cavity.partner.chain.protein.uniprot_id }}">
{{ cavity.partner.chain.pdb_chain_id }} | {{ cavity.partner.chain.protein.short_name }}
</div>
<div class="dropdown-content">
<a target="_blank" rel="noopener noreferrer" href="{% url 'cavities' %}?uniprotid={{ cavity.partner.chain.protein.uniprot_id }}">Query UniprotID in pockets</a>
<a target="_blank" rel="noopener noreferrer" href="{% url 'compound_list' %}?uniprot_id={{ cavity.partner.chain.protein.uniprot_id }}">Query UniprotID as iPPI-DB target</a>
</div>
</span>
{% endif %}
</th>
<td>{% if cavity.partner.ligand %}PL{% else %}HD{% endif %}</td>
<td>{{ cavity.volume|floatformat:0 }}</td>
<td>{{ cavity.npr1|floatformat:2 }}</td>
<td>{{ cavity.npr2|floatformat:2 }}</td>
<td>{{ cavity.asphericity|floatformat:2 }}</td>
<td>{{ cavity.eccentricity|floatformat:2 }}</td>
<td>{{ cavity.rgyr|floatformat:2 }}</td>
<td>{{ cavity.spherocityindex|floatformat:2 }}</td>
<td>{{ cavity.ca|floatformat:1 }}</td>
<td>{{ cavity.cz|floatformat:1 }}</td>
<td>{{ cavity.n|floatformat:1 }}</td>
<td>{{ cavity.o|floatformat:1 }}</td>
<td>{{ cavity.og|floatformat:1 }}</td>
<td>{{ cavity.nz|floatformat:1 }}</td>
<td>{{ cavity.od1|floatformat:1 }}</td>
<td>{{ cavity.du|floatformat:1 }}</td>
<td>{{ cavity.t40|floatformat:1 }}</td>
<td>{{ cavity.t40_50|floatformat:1 }}</td>
<td>{{ cavity.t50_60|floatformat:1 }}</td>
<td>{{ cavity.t60_70|floatformat:1 }}</td>
<td>{{ cavity.t70_80|floatformat:1 }}</td>
<td>{{ cavity.t80_90|floatformat:1 }}</td>
<td>{{ cavity.t90_100|floatformat:1 }}</td>
<td>{{ cavity.t100_110|floatformat:1 }}</td>
<td>{{ cavity.t110_120|floatformat:1 }}</td>
<td>{{ cavity.t120|floatformat:1 }}</td>
</tr>
\ No newline at end of file
ippisite/ippidb/templates/targetcentric_near_cavities.html 0 → 100644
+ 10
− 0
View file @ 4c19f646
{% load customtags %}
{% for distance in object.near_cavities %}
{% with distance.distance|get_zscore:avg_std as score %}
{% if object == distance.cavity1 %}
{% include "targetcentric_cavity_row.html" with chaincount=chaincount cavcount=cavcount cavity=distance.cavity2 score=score near_cavity=True %}
{% elif object == distance.cavity2 %}
{% include "targetcentric_cavity_row.html" with chaincount=chaincount cavcount=cavcount cavity=distance.cavity1 score=score near_cavity=True %}
{% endif %}
{%endwith%}
{% endfor %}
\ No newline at end of file
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