ObjexxFCL Namespace Reference

Application level code for relax-type protocols. More...

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Detailed Description

Application level code for relax-type protocols.

ObjexxFCL headers.

Detailed:

use AbrelaxApplication in the following way:

AbrelaxApplication::register_options(); core::init::init AbrelaxAppliaction my_app; my_app.add_evaluation( new MySpecialEvaluator ); ... my_app.run();

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control flow: the run method calls setup() and then either fold() or rerun() (depending on option -rerun )

each decoy is evaluated by process_decoy() and results are written to the score-file (if specified) or to the silent_output file ( if applicable ). the score file is a silent-file without structural data ( just SCORE lines )

rerun(): run thru structures in in:file:silent and call process_decoy for each fold(): produce structures with an Abinitio-type protocol and call process_decoy

options specific to AbrelaxApplication can be found by using -help at the command-line. if you add new options please follow the scheme in the static method register options

the behaviour of AbrelaxApplication is controlled by comman-line-options. Refer to -help (usage) and the code

information that is not always present is stored as xxxOP, and the NULL-pointer is interpreted that the respective behaviour is not present. (i.e., native_pose_ is either pointing to the native pose (-native) or to NULL. when you use such pointers ask if they are non-NULL.

Author

Oliver Lange

Christopher Miles (cmile.nosp@m.s@uw.nosp@m..edu)

Mike Tyka

Rhiju Das

Oliver Lange

Mike Tyka