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
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