{% if task.done %}
- {% if task.type == "md" or task.type == "remd" %}
+ {% if task.type == "md" or task.type == "remd" or task.type == "dock" %}
@@ -455,7 +496,7 @@ Created {{ task.created_date }}
-0 frame
+1 frame
@@ -477,7 +518,7 @@ Created {{ task.created_date }}
{% if task.md_pdbref %}
-
RMSD
+
Cα RMSD
@@ -527,7 +568,7 @@ Created {{ task.created_date }}
{% endif %}
- {% if task.type == "remd" %}
+ {% if task.type == "remd" or task.type == "dock" %}
Energy histogram
@@ -553,21 +594,22 @@ Created {{ task.created_date }}
{% if task.md_pdbref %}
-
Average RMSD vs. temperature
+
Average Cα RMSD vs. temperature
-
potential energy vs. RMSD
+
potential energy vs.
+ Cα RMSD
-
RMSD vs. step*replica
+
Cα RMSD vs. step*replica
colored by bath temperature
❯
-
+
+ {% 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
+
model {{ iii }}
{% if not task.damino %}
after conversion to allatom
{% endif %}
- {{ task.remd_model1|linebreaks }}
- NGL viewer