#!/bin/sh

# awa
# changes made on 98/06/30 to accomodate new formatt in toxd.pdb 

# Make an averaging mask from toxd coordinates
# (to illustrate program - no obvious use!)

# select protein and sulphates only - don't want waters
# contributing to mask

pdbset XYZIN $CEXAM/toxd/toxd.pdb XYZOUT $CCP4_SCR/toxd_protein.pdb << eof
SELECT CHAIN A S # using the select keyword to choose chain A and S
eof
#

# Now make mask.
# Mask will be in P1 unless keyword SYMM given.

ncsmask xyzin $CCP4_SCR/toxd_protein.pdb mskout $CCP4_SCR/junk.msk << eof
SYMM P212121
EXPAND 1.0
OVERLAP 3
eof
#