@@ -229,6 +236,12 @@ Created {{ task.created_date }}
pdbref
{{ task.md_pdbref}}
+ {% if task.md_start == "pdbstart" %}
+
+
preminim maxfun
+
{{ task.min_maxfun }}
+
+ {% endif %}
respa
{{ task.md_respa}}
@@ -348,15 +361,26 @@ Created {{ task.created_date }}
width="500">
-
+
+
+
Structure overlap NGL viewer
+
+
+
+
+
+
+
+
+
{% endif %}
@@ -392,6 +416,25 @@ Created {{ task.created_date }}
+
+{% if task.md_mdpdb %}
+
+
Trajectory NGL viewer
+
+
+
+
+
+0 frame
+
+
+
+
+
+
+
+{% endif %}
Radius of gyration based
@@ -428,7 +471,7 @@ Created {{ task.created_date }}
src="/myfiles/download-file/{{task.jobdirname}}/fluct_plot.png"
width="500">
-
+
+
+
fluctuations putty on
+ starting structure NGL viewer
+
+
+
+
{% endif %}
@@ -506,7 +558,7 @@ Created {{ task.created_date }}
{% if task.saxs_data != "" %}
P(r) of input SAXS data and
- calculated for 5 models
+ calculated for 5 models and the input pdb
@@ -526,7 +578,7 @@ Created {{ task.created_date }}
-
+
+
+
model1 after conversion
+ to allatom {{ task.remd_model1|linebreaks }}
+ NGL viewer
+
+
+
+
+ {% if task.md_pdbref %}
+
+ {% endif %}
+
+
+
+
-
+
+
+
model2 after conversion
+ to allatom {{ task.remd_model2|linebreaks }}
+ NGL viewer
+
+
+
+
+ {% if task.md_pdbref %}
+
+ {% endif %}
+
+
+
+
+
-
+
+
+
model3 after conversion
+ to allatom {{ task.remd_model3|linebreaks }}
+ NGL viewer
+
+
+
+
+ {% if task.md_pdbref %}
+
+ {% endif %}
+
+
+
+
-
+
+
+
model4 after conversion
+ to allatom {{ task.remd_model4|linebreaks }}
+ NGL viewer
+
+
+
+
+ {% if task.md_pdbref %}
+
+ {% endif %}
+
+
+
+
-
+
+
+
model5 after conversion
+ to allatom {{ task.remd_model5|linebreaks }}
+ NGL viewer
+
+
+
+
+ {% if task.md_pdbref %}
+
+ {% endif %}
+
+
+
+
{% endif %}
@@ -602,6 +740,7 @@ Created {{ task.created_date }}
+
+{% 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 %}