X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=django_simple%2Ftodo%2Ftemplates%2Fdetails1.html;h=e3135c80b75ee423556a5257e8f653ccee7e6230;hb=6a2764586c4c00b5c0cba0c27385b5531795b376;hp=7cc82dfcf37d40a65be5b87343452957c9c55fff;hpb=cb36b6c35942e63325f33948c429d3ca77c85306;p=django_unres.git diff --git a/django_simple/todo/templates/details1.html b/django_simple/todo/templates/details1.html index 7cc82df..e3135c8 100644 --- a/django_simple/todo/templates/details1.html +++ b/django_simple/todo/templates/details1.html @@ -9,14 +9,14 @@
  • -
    +
    {% csrf_token %}
    -
    +
    {% if not task.done %} {% if task.running > 0 %} @@ -39,10 +39,22 @@ Created {{ task.created_date }}
    • -
      done ?
      -
      +
      done ?
      +
      {% if task.done %} + {% if task.type == "md" or task.type == "remd" %} +
      + {% csrf_token %} + + +
      + {% endif %} {% else %} {% if task.running > 0 %}
    • -
      type
      -
      {{ task.type }}
      +
      type
      +
      {{ task.type }}
    • -
      force field
      -
      {{ task.unres_ff }}
      +
      force field
      +
      {{ task.unres_ff }}
    • -
      sequence
      -
      {{ task.md_seq}}
      +
      sequence
      +
      {{ task.md_seq}}
    • -
      SSBOND
      -
      {{ task.ssbond}}
      +
      secondary structure + restraints
      +
      {{ task.md_2d}}
      +
      • + + +
    • +
      SSBOND
      +
      {{ task.ssbond}}
      • @@ -86,117 +105,121 @@ Created {{ task.created_date }}
    • -
      algorithm
      -
      {{ task.min_choice }}
      +
      algorithm
      +
      {{ task.min_choice }}
    • -
      overlap
      -
      {{ task.min_overlap }}
      +
      overlap
      +
      {{ task.min_overlap }}
    • -
      searchsc
      -
      {{ task.min_searchsc }}
      +
      searchsc
      +
      {{ task.min_searchsc }}
    • -
      maxmin
      -
      {{ task.min_maxmin }}
      +
      maxmin
      +
      {{ task.min_maxmin }}
    • -
      maxfun
      -
      {{ task.min_maxfun }}
      +
      maxfun
      +
      {{ task.min_maxfun }}
    • -
      pdbout
      -
      {{ task.min_pdbout }}
      +
      pdbout
      +
      {{ task.min_pdbout }}
    • -
      input pdb
      -
      {{ task.myfile1 }}
      +
      input pdb
      +
      {{ task.myfile1 }}
    • -
      pdb code
      -
      {{ task.pdbcode }}
      +
      pdb code
      +
      {{ task.pdbcode }}
    • -
      unres_pdb
      -
      {{ task.min_unres_pdb }}
      +
      unres_pdb
      +
      {{ task.min_unres_pdb }}
      • {% endif %} {% if task.type == "md" %}
    • -
      starting
      -
      {{ task.md_start}}
      +
      starting
      +
      {{ task.md_start}}
    • -
      input pdb
      -
      {{ task.myfile1 }}
      +
      input pdb
      +
      {{ task.myfile1 }}
    • -
      pdb code
      -
      {{ task.pdbcode }}
      +
      pdb code
      +
      {{ task.pdbcode }}
    • -
      seed
      -
      {{ task.md_seed}}
      +
      seed
      +
      {{ task.md_seed}}
    • -
      pdbref
      -
      {{ task.md_pdbref}}
      +
      pdbref
      +
      {{ task.md_pdbref}}
    • -
      respa
      -
      {{ task.md_respa}}
      +
      respa
      +
      {{ task.md_respa}}
    • -
      temperature
      -
      {{ task.md_temp}}
      +
      temperature
      +
      {{ task.md_temp}}
    • -
      nstep
      -
      {{ task.md_nstep}}
      +
      nstep
      +
      {{ task.md_nstep}}
    • -
      ntwe
      -
      {{ task.md_ntwe}}
      +
      total steps (with restarts)
      +
      {{ task.md_total_steps}}
    • -
      ntwx
      -
      {{ task.md_ntwx}}
      +
      ntwe
      +
      {{ task.md_ntwe}}
    • -
      dt
      -
      {{ task.md_dt}}
      +
      ntwx
      +
      {{ task.md_ntwx}}
    • -
      thermostat
      -
      {{ task.md_lang}}
      +
      dt
      +
      {{ task.md_dt}}
      +
      • +
    • +
      thermostat
      +
      {{ task.md_lang}}
      • {% if task.md_lang == "berendsen" %}
    • -
      tau
      -
      {{ task.md_tau}}
      +
      tau
      +
      {{ task.md_tau}}
      • {% else %}
    • -
      scal_fric
      -
      {{ task.md_scal_fric}}
      +
      scal_fric
      +
      {{ task.md_scal_fric}}
      • {% endif %}
    • -
      mdpdb
      -
      {{ task.md_mdpdb}}
      +
      mdpdb
      +
      {{ task.md_mdpdb}}
    • -
      RESPA
      -
      {{ task.md_respa}}
      +
      RESPA
      +
      {{ task.md_respa}}
      • @@ -205,115 +228,124 @@ Created {{ task.created_date }} {% if task.type == "remd" %}
    • -
      nrep
      -
      {{ task.remd_nrep}}
      +
      nrep
      +
      {{ task.remd_nrep}}
    • -
      starting
      -
      {{ task.md_start}}
      +
      starting
      +
      {{ task.md_start}}
    • -
      input pdb
      -
      {{ task.myfile1 }}
      +
      input pdb
      +
      {{ task.myfile1 }}
      +
      • +
    • +
      pdb code
      +
      {{ task.pdbcode }}
    • -
      pdb code
      -
      {{ task.pdbcode }}
      +
      seed
      +
      {{ task.md_seed}}
    • -
      seed
      -
      {{ task.md_seed}}
      +
      pdbref
      +
      {{ task.md_pdbref}}
      • + {% if task.md_start == "pdbstart" %}
    • -
      pdbref
      -
      {{ task.md_pdbref}}
      +
      preminim maxfun
      +
      {{ task.min_maxfun }}
      • + {% endif %}
    • -
      respa
      -
      {{ task.md_respa}}
      +
      respa
      +
      {{ task.md_respa}}
    • -
      nstep
      -
      {{ task.md_nstep}}
      +
      nstep
      +
      {{ task.md_nstep}}
    • -
      ntwe
      -
      {{ task.md_ntwe}}
      +
      total steps (with restarts)
      +
      {{ task.md_total_steps}}
    • -
      nstex
      -
      {{ task.remd_nstex}}
      +
      ntwe
      +
      {{ task.md_ntwe}}
    • -
      ntwx
      -
      {{ task.md_ntwx}}
      +
      nstex
      +
      {{ task.remd_nstex}}
      +
      • +
    • +
      ntwx
      +
      {{ task.md_ntwx}}
    • -
      dt
      -
      {{ task.md_dt}}
      +
      dt
      +
      {{ task.md_dt}}
    • -
      thermostat
      -
      {{ task.md_lang}}
      +
      thermostat
      +
      {{ task.md_lang}}
      • {% if task.md_lang == "berendsen" %}
    • -
      tau
      -
      {{ task.md_tau}}
      +
      tau
      +
      {{ task.md_tau}}
      • {% else %}
    • -
      scal_fric
      -
      {{ task.md_scal_fric}}
      +
      scal_fric
      +
      {{ task.md_scal_fric}}
      • {% endif %}
    • -
      RESPA
      -
      {{ task.md_respa}}
      +
      RESPA
      +
      {{ task.md_respa}}
    • -
      temperatures
      -
      {{ task.remd_multi_t}}
      +
      temperatures
      +
      {{ task.remd_multi_t}}
    • -
      multiplex
      -
      {{ task.remd_multi_m}}
      +
      multiplex
      +
      {{ task.remd_multi_m}}
    • -
      temperature for clustering
      -
      {{ task.remd_cluter_temp}}
      +
      temperature for clustering
      +
      {{ task.remd_cluter_temp}}
      • - {% if task.saxs_data != "" %}
    • -
      wsaxs
      -
      {{ task.wsaxs }}
      +
      wsaxs
      +
      {{ task.wsaxs }}
    • -
      scal_rad (saxs)
      -
      {{ task.scal_rad }}
      +
      scal_rad (saxs)
      +
      {{ task.scal_rad }}
    • -
      saxs distribution
      - 
       {{ task.saxs_data }}
      +
      saxs distribution
      + 
       {{ task.saxs_data }}
      • {% endif %} {% endif %}
    • -
      Box X Y Z
      -
      {{ task.boxx}}
      -
      {{ task.boxy}}
      -
      {{ task.boxz}}
      +
      Box X Y Z
      +
      {{ task.boxx}}
      +
      {{ task.boxy}}
      +
      {{ task.boxz}}
    @@ -321,8 +353,8 @@ Created {{ task.created_date }}

    Results

  • -
    Directory
    -
    +
    Directory
    +
    {{ task.jobdirname }} @@ -335,57 +367,77 @@ Created {{ task.created_date }} {% if task.type == "min" %}
  • -
    Etot
    -
    {{ task.etot }}
    +
    Etot
    +
    {{ task.etot }}
    • - + +
  • +
    UNRES model NGL viewer
    +
    +
    +
    • + +
  • +
    Structure overlap NGL viewer
    +
    +
    +
    • +
  • +
    + + +
    +
    • {% endif %}
  • -
    Results
    -
    {{ task.results_text|linebreaks }}
    +
    Results
    +
    {{ task.results_text|linebreaks }}
    • {% if task.type == "md" %}
  • -
    Temperature histogram
    -
    Temperature histogram
    +
  • -
    Potential energy
    -
    Potential energy
    +
  • -
    Movie
    -
    +
    Movie
    +
    -
    • + +{% if task.md_mdpdb %} +
  • +
    Trajectory NGL viewer
    +
    +
    +
    • +
  • +
    +1 frame +
    +
    + + +
    +
    • + +{% endif %}
  • -
    Radius of gyration based +
    Radius of gyration based on Cα coordinates
    -
    • @@ -406,16 +477,16 @@ Created {{ task.created_date }} {% if task.md_pdbref %}
  • -
    RMSD
    -
    Cα RMSD
    +
  • -
    fraction of native +
    fraction of native side-chain concacts
    -
    • @@ -424,22 +495,31 @@ Created {{ task.created_date }} {% if task.md_start == "pdbstart" %}
  • -
    fluctuations
    -
    fluctuations
    +
    • - + +
  • +
    fluctuations putty on + starting structure NGL viewer
    +
    +
    +
    • + {% endif %} @@ -450,22 +530,22 @@ Created {{ task.created_date }} {% if task.type == "remd" %}
  • -
    Energy histogram
    -
    Energy histogram
    +
  • -
    Energy vs. temperature
    -
    Energy vs. temperature
    +
  • -
    Cv vs. temperature
    -
    Cv vs. temperature
    +
    • @@ -473,23 +553,24 @@ 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
    -
    • @@ -498,103 +579,214 @@ Created {{ task.created_date }} {% endif %}
  • -
    exchanges (walk in T)
    -
    exchanges (walk in T)
    +
    • + {% if task.saxs_data != "" %}
  • -
    P(r) of input SAXS data and - calculated for 5 models
    -
    P(r) of input SAXS data and + calculated for 5 models and the input pdb
    +
    • {% endif %} -
  • -
    +
    -
    +
    select model
    -
    +
    • -
  • -
    model1 after conversion + +
  • +
    model1 + {% if not task.damino %} + after conversion to allatom + {% endif %} + {{ task.remd_model1|linebreaks }} + NGL viewer
    +
    +
    • +
  • +
    + {% if task.md_pdbref %} + + {% endif %} + + Download +
    +
    • +
    -
  • -
    model2 after conversion + +
  • +
    model2 + {% if not task.damino %} + after conversion to allatom + {% endif %} + {{ task.remd_model2|linebreaks }} + NGL viewer
    +
    +
    • +
  • +
    + {% if task.md_pdbref %} + + {% endif %} + + Download +
    +
    • + +
    -
  • -
    model3 after conversion + +
  • +
    model3 + {% if not task.damino %} + after conversion to allatom + {% endif %} + {{ task.remd_model3|linebreaks }} + NGL viewer
    +
    +
    • +
  • +
    + {% if task.md_pdbref %} + + {% endif %} + + Download +
    +
    • +
    -
  • -
    model4 after conversion + +
  • +
    model4 + {% if not task.damino %} + after conversion to allatom + {% endif %} + {{ task.remd_model4|linebreaks }} + NGL viewer
    +
    +
    • +
  • +
    + {% if task.md_pdbref %} + + {% endif %} + + Download +
    +
    • +
    -
  • -
    model5 after conversion + +
  • +
    model5 + {% if not task.damino %} + after conversion to allatom + {% endif %} + {{ task.remd_model5|linebreaks }} + NGL viewer
    +
    +
    • +
  • +
    + {% if task.md_pdbref %} + + {% endif %} + + Download +
    +
    • +
    {% endif %} @@ -606,22 +798,145 @@ Created {{ task.created_date }} Regular user cannot use this link. {% endif %} - + + +{% 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 %}