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Error when running Remodel with EnzDes constraint file to extend c-terminal

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Error when running Remodel with EnzDes constraint file to extend c-terminal
#1

hi, everybody

In my test in  running Remodel with EnzDes constraint file,

the blueprint file is:

''''
95 E .
96 F . CST1A 
97 S .
98 E L CST1B 
99 E L

#################

the cstfile is:

CST::BEGIN
  TEMPLATE::  ATOM_MAP: 1 atom_type: Nbb 
  TEMPLATE::  ATOM_MAP: 1 is_backbone
  TEMPLATE::  ATOM_MAP: 1 residue3:  ALA CYS ASP GLU PHE GLY HIS ILE LYS LEU MET ASN GLN ARG SER THR VAL TRP TYR

  TEMPLATE::  ATOM_MAP: 2 atom_type: Nbb 
  TEMPLATE::  ATOM_MAP: 2 is_backbone
  TEMPLATE::  ATOM_MAP: 2 residue3: ALA CYS ASP GLU PHE GLY HIS ILE LYS LEU MET ASN  GLN ARG SER THR VAL TRP TYR 

CONSTRAINT:: distanceAB: 6.62 0.2 1.00 0
CST::END

#################

the flag for remodel  command is:

 ......./remodel.default.linuxgccrelease   -database  ... ...  -s 2LV8.pdb  -run:chain A  -remodel:num_trajectory 2 -remodel:quick_and_dirty -overwrite -enzdes:cstfile cstfile

##################

Remodel exits with the following error:

terminate called after throwing an instance of 'boost::exception_detail::clone_impl<boost::exception_detail::error_info_injector<boost::bad_weak_ptr> >'
  what():  tr1::bad_weak_ptr
Got some signal... It is:6
Process was aborted!
protocols.toolbox.match_enzdes_util.EnzConstraintIO: read enzyme constraints from cstfile ...
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. Explicit call Tracer::flush() or end your IO with std::endl to disable this warning.

#################

I have already read the web pages 

https://www.rosettacommons.org/node/3263 

https://www.rosettacommons.org/docs/latest/application_documentation/design/rosettaremodel

but I can't find format error in my input file. it confused me

Category: 
Post Situation: 
Thu, 2017-01-19 06:20
Jeffrey_Chen

What happens if you run Remodel without the constraints? Do you get any error messages and does your output structure looks like you'd expect?

Sat, 2017-01-21 09:58
mwfranklin

if without the option  -enzdes:cstfile,  remodel can terminates normally, the design result is also reasonable. 

Sat, 2017-01-21 18:14
Jeffrey_Chen

In your pasted CST above, the line CONSTRAINT is the same level of indentation as CST::END. Is that also true in your file? 

You could also try replacing residue3 with residue1 and the corresponding one letter amino acids (residue1: AGSITN....) and see if that has any effect. 

Mon, 2017-01-23 11:04
mwfranklin