Hello,
I am using pepspec to design a peptide inhibitor of a serine protease. I am using a structure of the enzyme, with a docked Arg, obtained from a crystal structure (so no Anchor Docking is needed). I want to design a peptide by adding residues to the N-terminal side of the anchored Arg. Previous pepspec, I repacked the structure with fixbb with:
-s R_anchor.pdb
-out:prefix ppk_
-nstruct 1
-packing:repack_only
-ex1
-ex2
When I run pepspec I got a Segfault. Attached is the ROSETTA_CRASH.log file. These are the flags I am using:
-in:file:s ppk_R_anchor.pdb
-o test_anchor
-ex1
-ex2
-extrachi_cutoff 0
-pepspec:pep_anchor 1
-pepspec:pep_chain A
-pepspec:n_prepend 5
-pepspec:n_append 0
-pepspec:n_peptides 10
-pepspec:save_all_pdbs
Am I missing something?
Thanks in advance,
-Yasser
.
