I wrote these two scripts before violation statistics reporting was implemented
Xplor-NIH. Hope they could be still fun to use after the powerful python
implementation.
The anaxplorviols does a CYANA-style statistics on *.sa.viols files.
Program: anaxplorviols
Usage: anaxplorviols [-viol Viol_item] [-show|-showone] [-sort viol| seq|
delta] [-nrev][-cut viol*|ave*|max* cutoff_value] violationsfiles
Options:
-viol: show statistics of violation items, usually BOND, CDIH, etc.,
currently implemented:
CDIH jcoup noe rdc
-sort: sort output
-nrev: sort non-reversely. By default big numbers appear first(reversely)
-show: show violation in each file
-cut: cutoff according to viol number, ave/max violation value at
cutoff_value
-help: show this message
The anaxplorpdb simply do statistics on the header info. in output pdb files.
Program: anaxplorpdb
Usage: anaxplorpdb [-ne|-noenergy] [-rms] [-viol] [-all] [-s|-sort sortitem]
[-h|-help] pdbfiles
Options:
-rms: display rmsd list for each item
-viol: display violations in each structure for each item
-ne: do not display energy items
-all: display stats. info. of all three terms
-s: sort item must be within the potential list, like BOND, total
-h: display this message
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