X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=django_simple%2Ftodo%2Ftemplates%2Foutputs.html;h=1399dda2b0ee12a5963c0df88b01952a2e5f510d;hb=6a2764586c4c00b5c0cba0c27385b5531795b376;hp=d887b3cfb9c10015e4bf810ea409c66b5dae6c22;hpb=277dcb10adaf7c05050521681d8b17fafcaf7891;p=django_unres.git diff --git a/django_simple/todo/templates/outputs.html b/django_simple/todo/templates/outputs.html index d887b3c..1399dda 100644 --- a/django_simple/todo/templates/outputs.html +++ b/django_simple/todo/templates/outputs.html @@ -1,26 +1,7 @@ - +{% extends "base.html" %} - - - -DESCRIPTION OF THE OUTPUT FILES FROM THE UNRES SERVER - - - - - - - - - - - - -

+{% load i18n lazysignup_tags %} +{% block content %}

DESCRIPTION OF THE OUTPUT FILES FROM THE UNRES SERVER

@@ -57,15 +38,15 @@ Contents
  • Summary of the files
  • The structure of the main output file (out) + HREF="outputs.html#SECTION00042000000000000000">The structure of the main output file
  • The thermodynamic quantity and ensemble average (thermal) files
  • The conformation summary with classification (stat) files -
  • The histogram files
  • The rmsd-radius of gyration potential of mean force files + HREF="outputs.html#SECTION00046000000000000000">The rmsd-radius of gyration potential of mean force files -->
  • The PDB files
  • These files are written in PDB standard (see. e.g., -ftp://ftp.wwpdb.org/pub/pdb/doc/format_descriptions/Format_v33_Letter.pdfftp://ftp.wwpdb.org/pub/pdb/doc/format_descriptions). The REMARK, ATOM, SSBOND, HELIX, SHEET, CONECT, TER, and ENDMDL are used. +ftp://ftp.wwpdb.org/pub/pdb/doc/format_descriptions). The REMARK, ATOM, SSBOND, HELIX, SHEET, CONECT, TER, and ENDMDL are used. The Cα (marked CA) and SC (marked CB) coordinates are output. The CONECT records specify the Cα - Cα and Cα - SC virtual bonds. Secondary @@ -463,6 +444,7 @@ Summary of the files
    file.cx - the compressed UNRES coordinate file with information to compute the probability of a given conformation at any temperature. +

    @@ -563,7 +546,7 @@ Bits s, c, and h of level 1 are explained in point 2; bits c and h of level 2 pe


    -The structure of the main output file (out) +The structure of the main output file

    @@ -869,6 +852,7 @@ The octal/quaternary/binary numbers denoting the class for a fragment at level 1

    +


    @@ -930,7 +914,7 @@ The PDB files

    The PDB files with names file_[slice_xx_]Tyyy.pdb, where Tyyy specifies a given replica temperature contain the conformations whose probabilities at replica temperature T sum to 0.99, after sorting the conformations -by probabilities in descending order. The PDB files follow the standard format; see ftp://ftp.wwpdb.org/pub/pdb/doc/format_descriptions/Format_v33_Letter.pdfftp://ftp.wwpdb.org/pub/pdb/doc/format_descriptions. +by probabilities in descending order. The PDB files follow the standard format; see ftp://ftp.wwpdb.org/pub/pdb/doc/format_descriptions. For single-chain proteins, an example is as follows:

    @@ -1392,5 +1376,4 @@ Prepared by Adam Liwo, 04/10/18


    - - +{% endblock %}