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random SEED value in forms
[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
b667f4a
..
13154b4
100644
(file)
--- a/
django_simple/todo/templates/input.html
+++ b/
django_simple/todo/templates/input.html
@@
-13,6
+13,10
@@
As input Unres server can use protein sequence given using one letter code
<li>
Only standard codes of aminoacids are recognized in PDB files.
<li>
<li>
Only standard codes of aminoacids are recognized in PDB files.
<li>
+PDB files can be downloaded from the PDB database based on given PDB code.
+To select only a single chain use PDB_code:chain_id notation (for example
+5G3Q:B), chain_id is case sensitive.
+<li>
Unres server requires input PDB files with continuous (without breaks)
protein chains. PDB files with gaps in the structure have to be first prepared
by filling up all missing residues. There is a plan to add such service to
Unres server requires input PDB files with continuous (without breaks)
protein chains. PDB files with gaps in the structure have to be first prepared
by filling up all missing residues. There is a plan to add such service to
@@
-21,10
+25,8
@@
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
@@
-38,8
+40,12
@@
which can crash calculations.
<li>
TER records in PDB file are read to recognize chain's ends.
<li>
<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
+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).
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 %}