Hi,
I just wanted to report what I think is an error in the documentation for versions 3.3 & 3.4.
On the “Using Constraints Files in Rosetta” page, in the function definition for a SPLINE function, the documentation currently says:
“SPLINE: histogram_file_path experimental_value weight bin_size … If using RosettaEPR knowledge-based potential, replace with EPR_DISTANCE”
According to my reading of the source code (and my experience using it!) there is a field missing in that description. It should read something like:
“SPLINE: description histogram_file_path experimental_value weight bin_size … If using RosettaEPR knowledge-based potential, use EPR_DISTANCE as the description and omit <filename>”
So if you want to use your own histogram, you need to include BOTH a description AND the filename for it to work.
Cheers
Iain
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