Hello,
I have been attempting to add zinc ion coordination to my protein for
structure calculations with ARIA. I am using analysis version 2.2 fully
updated and aria version 2.3. I have been using ARIA to import my
analysis project. Things work fine without the zinc, but when I use aria
to add the zinc restraints and corresponding his patch, nothing seems to
happen. Things still seem to work, but no zinc is present in the output
files. I have been troubleshooting for a day now and haven't gotten
anywhere.
Does anyone have any experience and could point me in a good direction
to set this up? I have read that it is best to set up the zinc
coordination within analysis, however I cannot figure out how to do
this. I have tried adding the CYO and CZN.xml chem comp files which are
available from the ARIA website, however the format seems to have
changed for the new analysis.
Alternatively, is there a good way to set up zinc coordination from
ARIA? What steps am I missing?
Thanks for any help that you all can provide.
David
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