description of input and changelog updated

diff --git a/TODO b/TODO
index 7cd4ad6..ebd4d57 100644 (file)
--- a/TODO
+++ b/TODO
@@ -26,7 +26,10 @@ dynamic dissulfides input - all and selected cys
 
 homology restraints input
 
-other restrains input
+# secondary structure restraints
+# done
+
+other restraints input
 
 # SAXS input
 # done

diff --git a/django_simple/todo/templates/changelog.html b/django_simple/todo/templates/changelog.html
index 885d7fc..9da3482 100644 (file)
--- a/django_simple/todo/templates/changelog.html
+++ b/django_simple/todo/templates/changelog.html
@@ -18,6 +18,11 @@
  <dd>
  Reading SSBOND from multichain pdb corrected.
  </dd>
+
+<dt>21.01.2018</dt>
+ <dd>
+ Secondary structure restraints added.
+ </dd>
  
 </dl>
               

diff --git a/django_simple/todo/templates/input.html b/django_simple/todo/templates/input.html
index 1509f69..17a4756 100644 (file)
--- a/django_simple/todo/templates/input.html
+++ b/django_simple/todo/templates/input.html
@@ -39,5 +39,9 @@ TER records in PDB file are read to recognize chain's ends.
 Distance distribution (from SAXS experiment) can be added for MREMD
 simulation in advanced mode. First column distance in  Angstroms, second column
 distribution function value (separated by space).
+<li>
+Secondary structure restraints can be added to MD and MREMD
+simulation in advanced mode. Sequence of letters H,E and C or - for each
+residue is used to input helical, extended and no restraints, respectively.
 </ol>
 {% endblock %}