There seemed to be no attached example, but the first thing I would
suggest is to make sure that you have the latest updates.
Tim also says:
I assume that the distance is that reported in a table? And if so which
Is this the "NOE sum" distance? (Which isn't a real distance but rather
the apparent one used for violation analysis). Two methyls with identical
shifts will mean that there are 6 protons all contributing to the peak
Does using the "minimum" value method for distances help?
On Fri, 5 Aug 2011, Marcel Jurk wrote:
> Dear all,
> I noticed that analysis seems to miscalculate distances between degenerate methyl-protons. The attached example is only one of a few I came about. In this case the actual distance is calculated to be 5.96 A, which can't be true. Using pymol and measuring only heavy-atom distances I think the true distance is somewhere around 10-11 A.
> What could be the reason for this?
> I am still using 2.1.5, since a repeated attempt to update did not work.
> Best regards,