Submitted by olange on Thu, 07/25/2013 - 17:52
Description:
make Rosetta readable RDC list from any column based format
Usage:
| clean_rdc_file.py |
[-h] -out tab [-cols [COLS [COLS ...]]] -names |
| |
[{expid,resn1,resn2,atom1,atom2,resi1,resi2,rdc} [{expid,resn1,resn2,atom1,atom2,resi1,resi2,rdc} ...]] |
| |
[-skip SKIP] [-offset OFFSET] [-traceback] |
| |
input |
Detailed Help:
| input |
A bmrb file or the chemical shift section of an bmrb file |
| -h, --help |
show this help message and exit |
| -out tab |
chemical shift file |
| -cols [COLS [COLS ...]] |
which columns should be used from the input data ? |
| -names [{expid,resn1,resn2,atom1,atom2,resi1,resi2,rdc} [{expid,resn1,resn2,atom1,atom2,resi1,resi2,rdc} ...]] |
what do the columns mean? |
| -skip SKIP |
skip x lines as header |
| -offset OFFSET |
an offset for the residue number |
| -traceback |
print full traceback in case of error |
Examples:
clean_rdc_file.py input.txt -cols 1 2 3 4 5 6 7 -names resi1 resn1 atom1 resi2 resn2 atom2 rdc -out proper.rdc