fraction of native
+
fraction of native
side-chain concacts
-
@@ -399,22 +536,31 @@ Created {{ task.created_date }}
{% if task.md_start == "pdbstart" %}
- fluctuations
- fluctuations
+
-
+
+
+ fluctuations putty on
+ starting structure NGL viewer
+
+
+
+
{% endif %}
@@ -422,25 +568,25 @@ Created {{ task.created_date }}
{% endif %}
- {% if task.type == "remd" %}
+ {% if task.type == "remd" or task.type == "dock" %}
- Energy histogram
- Energy histogram
+
- Energy vs. temperature
- Energy vs. temperature
+
- Cv vs. temperature
- Cv vs. temperature
+
@@ -448,23 +594,24 @@ Created {{ task.created_date }}
{% if task.md_pdbref %}
- Average RMSD vs. temperature
- Average C
α RMSD vs. temperature
+
- potential energy vs. RMSD
- potential energy vs.
+ C
α RMSD
+
- RMSD vs. step*replica
+
Cα RMSD vs. step*replica
colored by bath temperature
-
@@ -473,94 +620,72 @@ Created {{ task.created_date }}
{% endif %}
- exchanges (walk in T)
- exchanges (walk in T)
+
+ {% if task.saxs_data != "" %}
+
+ P(r) of input SAXS data and
+ calculated for 5 models and the input pdb
+
+
+ {% endif %}
+
-
+
❮
-
+
select model
-
+
❯
-
+
+ {% for iii in range %}
+
+ {% with istr=forloop.counter|stringformat:"s" %}
+ {% with MODELi="MODEL"|add:istr|add:".pdb" %}
+ {% with viewporti="viewport_M"|add:istr %}
+ {% with toggleRefi="toggleRefM"|add:istr %}
+ {% with toggleSidechainsi="toggleSidechainsM"|add:istr %}
+
- model1 after conversion
- to allatom
- {{ task.remd_model1|linebreaks }}
+
model {{ iii }}
+ {% if not task.damino %}
+ after conversion to allatom
+ {% endif %}
+ {{ remd_models|index:iii|linebreaks }}
+ NGL viewer
+
-
-
-
-
-
- model2 after conversion
- to allatom
- {{ task.remd_model2|linebreaks }}
-
-
-
-
-
-
- model3 after conversion
- to allatom
- {{ task.remd_model3|linebreaks }}
-
-
-
-
-
-
- model4 after conversion
- to allatom
- {{ task.remd_model4|linebreaks }}
-
-
-
-
-
-
- model5 after conversion
- to allatom
- {{ task.remd_model5|linebreaks }}
-
-
+
+
+ {% if task.md_pdbref %}
+
Reference structure on/off
+ {% endif %}
+
Side-chains on/off
+
Download
+
+
+ {% endwith %}
+ {% endwith %}
+ {% endwith %}
+ {% endwith %}
+ {% endwith %}
+ {% endfor %}
+
{% endif %}
{% endif %}
@@ -571,22 +696,146 @@ Created {{ task.created_date }}
Regular user cannot use this link.
{% endif %}
-
+
+
+{% if task.type == "remd" or task.type == "dock" %}
+{% endif %}
+
+{% if not task.done %}
+
+{% endif %}
-
+
+{% if task.type == "min" %}
+
+{% endif %}
+
+{% if task.type == "md" and task.md_start == "pdbstart" %}
+
+{% endif %}
+
+{% if task.type == "md" and task.md_mdpdb %}
+
+{% endif %}
+
+
{% endblock %}