#!/bin/sh

set -e

#   Gives tables of RMS B factors for MAIN and SIDE chains.
#   Allows you to truncate Main and SIDE chain B values to given limits.
#   All keywords can be defaulted.

baverage			\
  XYZIN $CEXAM/toxd/toxd.pdb   \
  RMSTAB $CCP4_SCR/rmsbs.tab	\
  XYZOUT $CCP4_SCR/junk.pdb	\
  <<eof
TITLE B value analysis 
BLIM 10 20  15 25     ! truncate Main chin Bs to lie betwen 10 and 20 - side 15-25
BRANGE 5.0            ! Analysis bvalues in ranges of 0-5 5-10  10-15  ..
END
eof
#