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iPPIDB
ippidb-web
Commits
4c19f646
Commit
4c19f646
authored
Jun 29, 2022
by
Bryan BRANCOTTE
Browse files
factorize row construction of cavities and sub cavities
parent
ded0cb6d
Changes
3
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ippisite/ippidb/templates/targetcentric.html
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4c19f646
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ippisite/ippidb/templates/targetcentric_cavity_row.html
0 → 100644
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
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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