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added a temp check (still sth is wrong!)
[physik/posic.git] / visual_atoms_script
1 #!/bin/bash
2
3 rm -f $5/va_*.*
4
5 ((count=0))
6
7 ./search_bonds $1 $2 $3 $4 | grep ' # atoms' | while read a b c d e f; do
8
9         ca=`echo $c | awk -F/ '{ print $1}'`
10         ma=`echo $d | awk -F/ '{ print $1}'`
11
12         ./visual_atoms $1 $ca 12.0 5.429 $ma | \
13                 grep ^[A-Z] > $5/va_${count}.xyz
14
15         which povray
16         ret=$?
17         if [ "$ret" = "0" ]; then
18                 ./visualize -w 640 -h 480 -d $5/va_${count}.xyz \
19                             -nll -0.76 -0.76 -0.76 -fur 0.76 0.76 0.76 \
20                             -b -0.5 -0.5 -0.5 0.5 0.5 0.5 \
21                             -c -0.2 -2.0 0.6 -L 0 0 -0.1 \
22                             -r 0.6 -B 0.1
23         fi
24
25         echo -en "$count "
26
27         ((count+=1))
28 done
29
30 echo "done"
31
32 qiv $5/va_*.png
33