#!/bin/sh

set -e

# 1. Generate the contents of the unit cell using given symmetry.
#    Symmetry-generated chains are then renamed.

pdbcur xyzin $CEXAM/rnase/rnase.pdb xyzout $CCP4_SCR/ucell.pdb <<eof
symm P 21 21 21
genu
renc A_1 C
renc A_2 D
renc A_3 E
renc B_1 F
renc B_2 G
renc B_3 H
eof

# 2. Same again but using automatic chain naming.

pdbcur xyzin $CEXAM/rnase/rnase.pdb xyzout $CCP4_SCR/ucell.pdb <<eof
symm P 21 21 21
genu
mkch
eof

# 3. Declare and then apply two symmetry operators.

pdbcur xyzin $CEXAM/rnase/rnase.pdb xyzout $CCP4_SCR/rnase1.pdb <<eof
symop  X,Y,Z
symop  Y+1/2,X-1/2,Z
symcommit
eof

#