Dear all
I wanted to calculate an RNA structure and just upgraded my xplor NIH version
from 2.44 to 3.0.
Thereby I realized that I get additional warnings regarding the torsion angles.
I tested then the 'rna' example in eginput and got the same...
setTorsions: WARNING: no angle found for
["resid 7 and name c5'", "resid 7 and name c4'", "resid 7 and name c3'",
"resid 7 and name o3'"]
...
I get this warning for all sugar pucker angles (delta, nu0, nu1), but not for
the chi angles as well as the other backbone angles (alpha, beta, gamma,...).
Otherwise the calculations seem to run fine and also the sugar puckers seem to
be included as I get also violation for them. I was wondering what does it mean
and if it is a real issue or if I can just ignore it.
Thanks and kind regards,
Silke
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