X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=django_simple%2Ftodo%2Ftemplates%2Fdetails.html;h=36e8e632fba9f6f50d10798d6a8747f5a29c81ea;hb=62a4475b3c221974500e82318db4875d01257c68;hp=34846274881fbaf88fe0c3dfe01583f44362d748;hpb=a3b7f27a81cf442cdeeaff5b9c9b52298c282f5a;p=django_unres.git
diff --git a/django_simple/todo/templates/details.html b/django_simple/todo/templates/details.html
index 3484627..36e8e63 100644
--- a/django_simple/todo/templates/details.html
+++ b/django_simple/todo/templates/details.html
@@ -43,6 +43,18 @@ Created {{ task.created_date }}
{% if task.done %}
+ {% if task.type == "md" or task.type == "remd" %}
+
+ {% endif %}
{% else %}
{% if task.running > 0 %}
{{ 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}}
@@ -332,6 +369,12 @@ Created {{ task.created_date }}
{{ task.jobdirname }}
+ {% if task.done %}
+
+
+ Download as zip
+ {% endif %}
@@ -344,7 +387,7 @@ Created {{ task.created_date }}
Etot
{{ task.etot }}
-
+
+
+ UNRES model NGL viewer
+
+
+
+
+
+ Structure overlap NGL viewer
+
+
+
+
+
+
+
+
+
{% endif %}
@@ -391,7 +453,8 @@ Created {{ task.created_date }}
Movie
-
+
+{% if task.md_mdpdb %}
+
+ Trajectory NGL viewer
+
+
+
+
+
+1 frame
+
+
+
+
+
+
+
+{% endif %}
Radius of gyration based
@@ -412,7 +494,7 @@ Created {{ task.created_date }}
{% if task.md_pdbref %}
- RMSD
+ Cα RMSD
@@ -435,7 +517,7 @@ 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 +544,7 @@ Created {{ task.created_date }}
{% endif %}
- {% if task.type == "remd" %}
+ {% if task.type == "remd" or task.type == "dock" %}
Energy histogram
@@ -479,21 +570,22 @@ 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
-
+
+
+ model1
+ {% if not task.damino %}
+ after conversion to allatom
+ {% endif %}
+ {{ task.remd_model1|linebreaks }}
+ NGL viewer
+
+
+
+
+ {% if task.md_pdbref %}
+
+ {% endif %}
+
+
Download
+
+
+
-
+
+
+ model2
+ {% if not task.damino %}
+ after conversion to allatom
+ {% endif %}
+ {{ task.remd_model2|linebreaks }}
+ NGL viewer
+
+
+
+
+ {% if task.md_pdbref %}
+
+ {% endif %}
+
+
Download
+
+
+
+
-
+
+
+ model3
+ {% if not task.damino %}
+ after conversion to allatom
+ {% endif %}
+ {{ task.remd_model3|linebreaks }}
+ NGL viewer
+
+
+
+
+ {% if task.md_pdbref %}
+
+ {% endif %}
+
+
Download
+
+
+
-
+
+
+ model4
+ {% if not task.damino %}
+ after conversion to allatom
+ {% endif %}
+ {{ task.remd_model4|linebreaks }}
+ NGL viewer
+
+
+
+
+ {% if task.md_pdbref %}
+
+ {% endif %}
+
+
Download
+
+
+
-
+
+
+ model5
+ {% if not task.damino %}
+ after conversion to allatom
+ {% endif %}
+ {{ task.remd_model5|linebreaks }}
+ NGL viewer
+
+
+
+
+ {% if task.md_pdbref %}
+
+ {% endif %}
+
+
Download
+
+
+
{% endif %}
@@ -609,6 +812,7 @@ Created {{ task.created_date }}
+
+{% if task.type == "remd" or task.type == "dock" %}
+{% endif %}
{% if not task.done %}
-{% endif %}
-
-
+{% 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 %}