Description
Annotate the calculated structures as weak or strong
Usage
| annotate_target |
[-h] [-type TYPE] [-pred PRED] [-run_folder RUN_FOLDER] |
|
[-bin BIN] [-platform {linux,macos}] [-comp {gcc,icc}] |
|
[-extras {default,static,mpi}] [-j ] |
Detailed Help
| -h, --help |
show this help message and exit
|
| -type TYPE |
pred.tab generated by talos+
|
| -pred PRED |
pred.tab generated by talos+
|
| -run_folder RUN_FOLDER |
the run folderof rasrec
|
| -bin BIN |
rosetta binaries location
|
| -platform {linux,macos} |
which platform
|
| -comp {gcc,icc} |
which compiler
|
| -extras {default,static,mpi} |
which extras
|
| -j |
number of processors used
|
Example
annotate_target -type abrelax -pred /home/userA/talos/3cwi/pred.tab -run_folder /home/userA/rasrec/3cwi/standard/run/ -bin /home/userA/rosetta/rosetta_source/bin/ -platform linux -comp gcc -extras mpi -j 10
Output
cs-consensus convergence energy gap sum annotation
0.969 0.711 0.974 0.850 strong 