[buster-discuss] AdjustModifiedNucleotides

Edwin Pozharski pozharskibb at gmail.com
Tue Aug 21 23:27:08 CEST 2018


Hello,

could someone confirm that AdjustModifiedNucleotides option actually
works?  IIUC, it is supposed to tell tnt to treat residues that contain
proper sugar-phosphate atom names as DNA/RNA.  I have some modified
nucleotides and always get Gelly sanity check error telling me that there
is bad contact between its P/O3' and preceding/following nucleotide O3'/P.
The issue can be resolved by adding proper LINK records to the input PDB
file, but shouldn't this be unnecessary given
that AdjustModifiedNucleotides defaults to "yes"?

Buster version info is 2.10.3  <2018-05-15 01:50:23>

Thanks!

Ed.

---
I don't know why the sacrifice didn't work. The science seemed so solid.
Julien XIII, Lord of the Lemurs
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