switch for respa, D aminoacids, saxs tutorial, license

[django_unres.git] / django_simple / todo / templates / input.html

diff --git a/django_simple/todo/templates/input.html b/django_simple/todo/templates/input.html
index 9189f6b..b667f4a 100644 (file)
--- a/django_simple/todo/templates/input.html
+++ b/django_simple/todo/templates/input.html
@@ -22,11 +22,24 @@ server).
 <li>
 Disulfide bonds are read from PDB based on SSBOND records and for multichain
 protein COMPND record with propers CHAIN: tokens listing all chains in the
-PDB file.
+PDB file. See example:
+<pre>
+COMPND   3 CHAIN: A, B, C, D;
+SSBOND   1 CYS C  107    CYS C  138
+SSBOND   2 CYS C  124    CYS C  139
+SSBOND   3 CYS C  137    CYS C  149
+SSBOND   4 CYS D  107    CYS D  138
+SSBOND   5 CYS D  124    CYS D  139
+SSBOND   6 CYS D  137    CYS D  149
+</pre>
 <li> A protein structure with disulfide bonds and no corresponding 
 SSBOND records will result in clashes and a very high energy 
 which can crash calculations.
 <li>
 TER records in PDB file are read to recognize chain's ends.
+<li>
+Distance distribution (from SAXS experiment) cam be added for MREMD
+simulations in advanced mode. First column distance, second column
+distribution function value (separated by space).
 </ol>
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