The xml file should end up looking like:
<ssbonds file="" format="ccpn" ccpn_id="5|1" enabled="yes">
<cyspatch residue="133" segid="A"/>
<cyspatch residue="176" segid="A"/>
</ssbonds>
where the ccpn_id will refer to a set of distance restraints in your CCPN project specifically for the SS distances. To generate the table you probably need to create a CNS style restraint file and import it. To edit the residue and segid fields in the GUI, I have to <Shift><Left Mouse Button> - some Tk behaviour that varies from all other GUIs I've ever used!
Dr. Brian O. Smith --------------------------- Brian Smith at glasgow ac uk
Institute of Molecular, Cell and Systems Biology & School of Life Sciences,
College of Medical, Veterinary & Life Sciences,
Joseph Black Building, University of Glasgow, Glasgow G12 8QQ, UK.
Tel: 0141 330 5167/6459/3089
----------------------------------------------------------------------
The University of Glasgow, charity number SC004401
________________________________________
From: CcpNmr software mailing list [[log in to unmask]] on behalf of Bernd Koenig [[log in to unmask]]
Sent: 29 July 2016 16:45
To: [log in to unmask]
Subject: Disulfide bond in ARIA
I am using CCPN version 2.4.2 and ARIA version 2.3.2
I would like to use a disulfide bond (as distance restraint) in ARIA
structure calculation.
Following the instructions on the Web page “ARIA disulphides”
https://sites.google.com/site/ccpnwiki/Home/documentation/connected-software-1/aria/aria-howtos/aria-disulphides
I was able to create a “Disulfide bridges (restraints)” entry in the ARIA GUI
and the corresponding xml-File.
However, in the ARIA GUI I cannot specify the “Cysteines involved” in
the disulfide bridges (I simply cannot insert any input into the table cells for
(cysteine) “Residue” and “Segid”).
And in my ARIA xml code for the “Disulfide bridges (restraints)” I could
not find any placeholders for “Residue” and “Segid”, the xml-File entry reads:
<ssbonds file="" format="ccpn" ccpn_id="1|1" enabled="yes"/>
Can anybody provide me an “ssbonds” statement from his/her ARIA xml file that
includes the information on (cysteine) “Residue” and “Segid”?
Once I know the correct syntax, I should be able to include the information on
my cysteines directly into my ARIA xml file.
Any help or comments are greatly appreciated.
Thanks in advance,
Bernd
