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Hi,

I am trying to load a structure from PDB and then calculate pairwise residue energies between residues in the structure. For this, I want to first load the scorefxn and then the structure (or viceversa), but whenever I try, either of them gives me a segfault, i.e. if I do scorefxn = get_fa_scorefxn(); pose_from_pdb() the latter crashes and if I do the opposite, get_fa_scorefxn() crashes. 

Hello. I am wondering how many iterations is enough for remodel? Its a de-novo C-terminal extension: loop + helix of about 30 residues.

-in:file:s p_final.pdb
-remodel:blueprint final.blp
-remodel:num_trajectory ????
-remodel:save_top 5
-overwrite
-remodel:checkpoint
-out:file:scorefile final.sc
-ex1
-ex2
-hb_srbb 1.0
-remodel:use_pose_relax
-ignore_zero_occupancy false

In the supplementary material of the all-informative 2015 JChem paper The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design  there is one detail that I do not understand and was curious about. Namely, "Rosetta predictions of density, heat of vaporization (∆Hvap) and heat capacity (Cp(l))".

Hi Everyone 

I am currently working with the flexpepdock protocol and I need to create fragments. Unfortunately my peptides are short <27 aa and cannot use robetta. I am doing the fragment creation locally but the procedure is somewhat complex, could someone help me what steps should I follow to modify the make_fragments.pl script