@@ -202,7 +209,7 @@ Created {{ task.created_date }}
{% endif %}
- {% if task.type == "remd" %}
+ {% if task.type == "remd" or task.type == "dock" %}
nrep
@@ -221,6 +228,17 @@ Created {{ task.created_date }}
pdb code
{{ task.pdbcode }}
+ {% if task.type == "dock" %}
+
+
input pdb2
+
{{ task.myfile2 }}
+
+
+
pdb code2
+
{{ task.pdbcode2 }}
+
+
+ {% endif %}
seed
{{ task.md_seed}}
@@ -229,6 +247,12 @@ Created {{ task.created_date }}
pdbref
{{ task.md_pdbref}}
+ {% if task.md_start == "pdbstart" %}
+
+
preminim maxfun
+
{{ task.min_maxfun }}
+
+ {% endif %}
respa
{{ task.md_respa}}
@@ -337,7 +361,7 @@ Created {{ task.created_date }}
Etot
{{ task.etot }}
-
+
+
+
UNRES model NGL viewer
+
+
+
+
+
+
Structure overlap NGL viewer
+
+
+
+
+
+
+
+
+
{% endif %}
@@ -392,6 +435,25 @@ Created {{ task.created_date }}
+
+{% if task.md_mdpdb %}
+
+
Trajectory NGL viewer
+
+
+
+
+
+0 frame
+
+
+
+
+
+
+
+{% endif %}
Radius of gyration based
@@ -428,7 +490,7 @@ Created {{ task.created_date }}
src="/myfiles/download-file/{{task.jobdirname}}/fluct_plot.png"
width="500">
-
+
+
+
fluctuations putty on
+ starting structure NGL viewer
+
+
+
+
{% endif %}
@@ -446,7 +517,7 @@ Created {{ task.created_date }}
{% endif %}
- {% if task.type == "remd" %}
+ {% if task.type == "remd" or task.type == "dock" %}
Energy histogram
@@ -506,7 +577,7 @@ 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 +597,7 @@ Created {{ task.created_date }}
-
+
+
+
model1
+ {% if not task.damino %}
+ after conversion to allatom
+ {% endif %}
+ {{ task.remd_model1|linebreaks }}
+ NGL viewer