Submitted by olange on Fri, 05/04/2012 - 10:23
Description:
extract chemical section from BMRB file
Usage:
bmrb2talos.py |
[-h] [-backbone] [-ignore_errors] [-traceback] bmrb [tab] |
Detailed Help:
tab |
chemical shift file |
bmrb |
A bmrb file or the chemical shift section of an bmrb file |
-h, --help |
show this help message and exit |
-backbone |
remove all atoms that are not used by fragment picker: keep CA, CB, C, N, HN, HA |
-ignore_errors |
some bmrb files have corrupted data entries that do not affect the chemical shift data. These errors can be ignored |
-traceback |
print full traceback in case of error |
Examples:
bmrb2talos.py 2jrm.bmrb 2jrm.tab
bmrb2talos.py 2jrm.brmb > 2jrm.tab