X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=django_simple%2Ftodo%2Ftemplates%2Ftutorial.html;h=e2719412fce6e4bcbe5f330d6081b6f2192caf56;hb=03c96699333f5c45ba11d3e1da84b4f471e52ace;hp=e751b08231d89add55655c1cf0e2f64d7595e78a;hpb=66d03f1186c3e250017870ebe160a66069536e4f;p=django_unres.git diff --git a/django_simple/todo/templates/tutorial.html b/django_simple/todo/templates/tutorial.html index e751b08..e271941 100644 --- a/django_simple/todo/templates/tutorial.html +++ b/django_simple/todo/templates/tutorial.html @@ -3,6 +3,418 @@ {% load i18n lazysignup_tags %} {% block content %} -Tutorial +

+In order to submit a job you need to provide its name:

+

+ +

+UNRES server allows three types of simulations: +local minimization, molecular dynamics and replica exchange molecular dynamics: +

+ +

+Use "Save & submit" button to start calculations. + +

+Use "Refresh" button to check the status of simulation: +

+ +

+until + +

+The job status information will start from the "waiting in the queue to +start", then "running" and finally "postprocessing" before "done". +Postprocessing do not count to 100%. Autorefresh is active every 30 sec. +

+Any single job can by accessed later using the adress of the web page +displayed after job submission: +http://unres-server.chem.ug.edu.pl/details1/570cf15fc638493893ece1f011ea0182/984/ +
+Registered users can save all their jobs and access them after login. +

+

You can use "Load example data" button before submitting calculations +to try examples listed below:

+

+

    +

  1. Local minimization of protein A (PDB code:1BDD) structure

    2. +
    +
    + Show + + +
    + +

  2. Molecular dynamics of IGG-binding domain from streptococcal protein G +(PDB code:1IGD) starting from the native structure

    3. +
    +
    + Show + + +
    +

  3. +Replica exchange molecular dynamics of Trp-Cage miniprotein (PDB +code:1L2Y) starting from the extended chain

    4. +
    +
    + Show + + +
    +
+
+Advanced mode allows for changes of more parameters of each type of +simulation. Separate examples are provided (use Load example data button as +in Basic mode): +
    +

  1. +Minimization of the P8MTCP1 disulfide-bonded helical hairpin miniprotein +(PDB code: 1EI0).

    2. +
    +
    + Show + + +
    + +

  2. +Canonical MD simulations of Trp-Cage miniprotein (PDB code:1L2Y) +starting from extended chain.

    3. +
    +
    + Show + + +
    + + +

  3. +MREMD simulations of 5G3Q:B (CASP12 target T0882)

    4. + +
    +
    + Show + + +
    + + +
    +

  4. +Distance distribution restrained (simulated SAXS data) +replica exchange molecular dynamics of +Bacteriocin CbnXY (PDB code:5UJQ) starting from the extended chain. +
    +(Use Load example SAXS 1 button in advanced mode) +

    5. +
    +
    + Show + + +
    + +

  5. +Distance distribution restrained (real SAXS data) +replica exchange molecular dynamics of +the central portion of Factor H (PDB code:2KMS). +
    +(Use Load example SAXS 2 button in advanced mode) +

    6. +
    +
    + Show + + + +
    + + + + + + {% endblock %} \ No newline at end of file