fraction of native
+
fraction of native
side-chain concacts
-
@@ -424,22 +501,31 @@ Created {{ task.created_date }}
{% if task.md_start == "pdbstart" %}
- fluctuations
- fluctuations
+
-
+
+
+ fluctuations putty on
+ starting structure NGL viewer
+
+
+
+
{% endif %}
@@ -450,22 +536,22 @@ Created {{ task.created_date }}
{% if task.type == "remd" %}
- Energy histogram
- Energy histogram
+
- Energy vs. temperature
- Energy vs. temperature
+
- Cv vs. temperature
- Cv vs. temperature
+
@@ -473,23 +559,24 @@ 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
-
@@ -498,103 +585,214 @@ 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
- P(r) of input SAXS data and
+ calculated for 5 models and the input pdb
+
{% endif %}
-
-
+
-
+
select model
-
+
-
- model1 after conversion
+
+
+ model1
+ {% if not task.damino %}
+ after conversion to allatom
+ {% endif %}
+ {{ task.remd_model1|linebreaks }}
+ NGL viewer
+
+
+
+
+ {% if task.md_pdbref %}
+
+ {% endif %}
+
+
Download
+
+
+
-
- model2 after conversion
+
+
+ model2
+ {% if not task.damino %}
+ after conversion to allatom
+ {% endif %}
+ {{ task.remd_model2|linebreaks }}
+ NGL viewer
+
+
+
+
+ {% if task.md_pdbref %}
+
+ {% endif %}
+
+
Download
+
+
+
+
-
- model3 after conversion
+
+
+ model3
+ {% if not task.damino %}
+ after conversion to allatom
+ {% endif %}
+ {{ task.remd_model3|linebreaks }}
+ NGL viewer
+
+
+
+
+ {% if task.md_pdbref %}
+
+ {% endif %}
+
+
Download
+
+
+
-
- model4 after conversion
+
+
+ model4
+ {% if not task.damino %}
+ after conversion to allatom
+ {% endif %}
+ {{ task.remd_model4|linebreaks }}
+ NGL viewer
+
+
+
+
+ {% if task.md_pdbref %}
+
+ {% endif %}
+
+
Download
+
+
+
-
- model5 after conversion
+
+
+ model5
+ {% if not task.damino %}
+ after conversion to allatom
+ {% endif %}
+ {{ task.remd_model5|linebreaks }}
+ NGL viewer
+
+
+
+
+ {% if task.md_pdbref %}
+
+ {% endif %}
+
+
Download
+
+
+
{% endif %}
@@ -606,22 +804,145 @@ Created {{ task.created_date }}
Regular user cannot use this link.
{% endif %}
-
+
+
+{% if task.type == "remd" %}
+{% 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 %}