diff --git a/ippisite/ippidb/templates/targetcentric.html b/ippisite/ippidb/templates/targetcentric.html
index 4191c16126c2e7a4545ad7fb48dad09472d5dace..6aa573b228018f0cf35424e99fdf75421bdca39f 100644
--- a/ippisite/ippidb/templates/targetcentric.html
+++ b/ippisite/ippidb/templates/targetcentric.html
@@ -236,230 +236,8 @@ Comparison and druggability prediction of protein-ligand binding sites from phar
{% with chaincount=forloop.counter %}
{% for cavity in cavities %}
{% with cavcount=forloop.counter %}
- <tr id="cavity_{{ cavity.id }}" class="table-light" >
- <th class="zui-sticky-col text-nowrap">
-
- <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 %}
+ {% include "targetcentric_cavity_row.html" with chaincount=chaincount cavcount=cavcount %}
+ {% include "targetcentric_near_cavities.html" with object=cavity %}
{% endwith %}
{% endfor %}
{% endwith %}
diff --git a/ippisite/ippidb/templates/targetcentric_cavity_row.html b/ippisite/ippidb/templates/targetcentric_cavity_row.html
new file mode 100644
index 0000000000000000000000000000000000000000..3e2fa41c3d649a743f6bd576e014049e619f0416
--- /dev/null
+++ b/ippisite/ippidb/templates/targetcentric_cavity_row.html
@@ -0,0 +1,87 @@
+{% 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
diff --git a/ippisite/ippidb/templates/targetcentric_near_cavities.html b/ippisite/ippidb/templates/targetcentric_near_cavities.html
new file mode 100644
index 0000000000000000000000000000000000000000..6d05ad86940d091cf5bc4f3984297c442c6ec48b
--- /dev/null
+++ b/ippisite/ippidb/templates/targetcentric_near_cavities.html
@@ -0,0 +1,10 @@
+{% 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