Hello, I've been trying to use harmonic restraints in Refmac by creating a .txt file with the following in it:
external harmonic residues from 2 H to 4 H external harmonic residues from 17 H to 19 H external harmonic residues from 26 H to 28 H I've used it both with and without the 'sigma' value at the end of each line. Either way restraints do not hold during restrained refinement. These few rotamers which I fix in Coot, validate in Phenix, refine in Refmac, and validate again in Phenix keep getting pushed into areas that are not favored. I would love to hear some ideas as I'm out and this model is otherwise done. Thanks in advance! -Jon Here is the link to harmonic restraints link if anyone is curious: http://www.ccp4.ac.uk/dist/html/refmac5/keywords/keywords_5_5.html#Harmonic
