From 009609508b48e10ef863491daa403bb9564f13bc Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Sun, 21 Jan 2018 20:20:07 +0100 Subject: [PATCH] description of input and changelog updated --- TODO | 5 ++++- django_simple/todo/templates/changelog.html | 5 +++++ django_simple/todo/templates/input.html | 4 ++++ 3 files changed, 13 insertions(+), 1 deletion(-) diff --git a/TODO b/TODO index 7cd4ad6..ebd4d57 100644 --- 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 --- a/django_simple/todo/templates/changelog.html +++ b/django_simple/todo/templates/changelog.html @@ -18,6 +18,11 @@
Reading SSBOND from multichain pdb corrected.
+ +
21.01.2018
+
+ Secondary structure restraints added. +
diff --git a/django_simple/todo/templates/input.html b/django_simple/todo/templates/input.html index 1509f69..17a4756 100644 --- 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). +
  • +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. {% endblock %} -- 1.7.9.5