I am attempting to follow a recent publication released by the Baker group. I am using this cst file to constrain an iron atom to a histidine:
I have renamed the HMM residue to match with my ligand name.
However I am getting errors about the format of the cstfile. When I run design the program errors after 6 seconds with the following errors:
ERROR: Undefined error when reading cstfile. Something is wrong with the format (no CST::END tag maybe? ).
There is definitely a CST::END tag however, so I am not sure why I am getting this error.
This is the output arround the error:
basic.io.database: Database file opened: scoring/score_functions/elec_cp_reps.dat
core.scoring.elec.util: Read 40 countpair representative atoms
core.pack.dunbrack.RotamerLibrary: shapovalov_lib_fixes_enable option is true.
core.pack.dunbrack.RotamerLibrary: Binary rotamer library selected: /share/apps/rosetta/bin/../database/rotamer/beta_nov2016/Dunbrack10.lib.bin
core.pack.dunbrack.RotamerLibrary: Using Dunbrack library binary file '/share/apps/rosetta/bin/../database/rotamer/beta_nov2016/Dunbrack10.lib.bin'.
core.pack.dunbrack.RotamerLibrary: Dunbrack 2010 library took 0.2 seconds to load from binary
protocols.toolbox.match_enzdes_util.MatchConstraintFileIfo: Error, when reading algorithm info block with tag match, no ALGORITHM_INFO::END line was found.
Error: [ ERROR ] Must call shutdown() when finished using job distributor!
protocols.toolbox.match_enzdes_util.EnzConstraintIO: read enzyme constraints from His.cst ...
protocols.toolbox.match_enzdes_util.EnzConstraintIO: [ WARNING ] Message(s) above was printed in the end instead of proper place because this Tracer object has some contents left in inner buffer when destructor was called. Explicitly call Tracer::flush() or end your IO with std::endl to disable this warning.