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description of input and changelog updated
[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
431ca85
..
17a4756
100644
(file)
--- a/
django_simple/todo/templates/input.html
+++ b/
django_simple/todo/templates/input.html
@@
-21,10
+21,8
@@
external software or online servers (for example Modeller software, Modloop
server).
<li>
Disulfide bonds are read from PDB based on SSBOND records and for multichain
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. See example:
+protein proper chain records are necessary. See example:
<pre>
<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 1 CYS C 107 CYS C 138
SSBOND 2 CYS C 124 CYS C 139
SSBOND 3 CYS C 137 CYS C 149
@@
-41,5
+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).
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 %}
</ol>
{% endblock %}