Hi all,
I’m trying to submit some dihedral restraints for the protein backbone in my Haddock runs. Does anyone know what the file format for this is? I know there’s a link on the website, but it doesn’t seem to work for me.
Cheers!
Hello,
The file format we’re using is TBL and the restraints must look like the following line:
assign (resid 1 and name c ) (resid 2 and name n ) (resid 2 and name ca) (resid 2 and name c ) 1.0 -125.0 25.0 2
where the generic pattern follows:
assign <atom selection> < atom selection> <atom selection> <atom selection> <force constant> <target dihedral angle> <error range> <exponent>
You can find the information in this paper: http://www.nature.com/nprot/journal/v5/n5/full/nprot.2010.32.html
I hope this will help!