{% if task.done %}
+ {% if task.type == "md" or task.type == "remd" %}
+
+ {% endif %}
{% else %}
{% if task.running > 0 %}
sequence
-
{{ task.md_seq}}
+
{{ task.md_seq}}
secondary structure
restraints
-
{{ task.md_2d}}
+
{{ task.md_2d}}
@@ -165,6 +177,10 @@ Created {{ task.created_date }}
{{ task.md_nstep}}
+
total steps (with restarts)
+
{{ task.md_total_steps}}
+
+
ntwe
{{ task.md_ntwe}}
@@ -209,7 +225,7 @@ Created {{ task.created_date }}
{% endif %}
- {% if task.type == "remd" %}
+ {% if task.type == "remd" or task.type == "dock" %}
nrep
@@ -228,6 +244,17 @@ 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}}
@@ -236,6 +263,12 @@ Created {{ task.created_date }}
pdbref
{{ task.md_pdbref}}
+ {% if task.md_start == "pdbstart" %}
+
+
preminim maxfun
+
{{ task.min_maxfun }}
+
+ {% endif %}
respa
{{ task.md_respa}}
@@ -245,6 +278,10 @@ Created {{ task.created_date }}
{{ task.md_nstep}}
+
total steps (with restarts)
+
{{ task.md_total_steps}}
+
+
ntwe
{{ task.md_ntwe}}
@@ -344,7 +381,7 @@ Created {{ task.created_date }}
Etot
{{ task.etot }}
-
+
+
+
UNRES model NGL viewer
+
+
+
+
+
+
Structure overlap NGL viewer
+
+
+
+
+
+
+
+
+
{% endif %}
@@ -391,7 +447,8 @@ Created {{ task.created_date }}
Movie
-
+
+{% if task.md_mdpdb %}
+
+
Trajectory NGL viewer
+
+
+
+
+
+1 frame
+
+
+
+
+
+
+
+{% endif %}
Radius of gyration based
@@ -435,7 +511,7 @@ Created {{ task.created_date }}
src="/myfiles/download-file/{{task.jobdirname}}/fluct_plot.png"
width="500">
-
+
+
+
fluctuations putty on
+ starting structure NGL viewer
+
+
+
+
{% endif %}
@@ -453,7 +538,7 @@ Created {{ task.created_date }}
{% endif %}
- {% if task.type == "remd" %}
+ {% if task.type == "remd" or task.type == "dock" %}
Energy histogram
@@ -513,7 +598,7 @@ 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
@@ -533,7 +618,7 @@ Created {{ task.created_date }}
-
+
+
+
model1
+ {% if not task.damino %}
+ after conversion to allatom
+ {% endif %}
+ {{ task.remd_model1|linebreaks }}
+ NGL viewer