awk '{if ( NF == 10 ) print}' file_GB000.stat > md.stat
endif
-../../files/matplotlib_fit_hist.py $dimen3
+../files/matplotlib_fit_hist.py $dimen3
rm md.stat
if ( -f "file_MD000.pdb" ) then
mkdir tmp
/users2/local/pymol_1.6/pymol -c ../files/movie.pml
ffmpeg2theora tmp/aa%4d.png -o md.ogv
- rm -rf tmp
+ if ( `grep -c pdbstart file.inp` ) then
+ /users2/local/pymol_1.6/pymol -c ../files/overlap.pml
+ ../files/fluct_plot.py intra_fit.pdb > fluctuations.txt
+ /users2/local/pymol_1.6/pymol -c -r ../files/fluct.py
+ rm -f intra_fit.pdb
+ endif
+ rm -rf tmp
else
/users2/czarek/UNRES/git3_tmp/build/bin/xdrf2pdb-mult one file.seq file_MD000.cx
mkdir tmp
/users2/local/pymol_1.6/pymol -c ../files/movie.pml
ffmpeg2theora tmp/aa%4d.png -o md.ogv
- rm -rf tmp file_MD000.pdb
+ if ( `grep -c pdbstart file.inp` ) then
+ /users2/local/pymol_1.6/pymol -c ../files/overlap.pml
+ ../files/fluct_plot.py intra_fit.pdb > fluctuations.txt
+ /users2/local/pymol_1.6/pymol -c -r ../files/fluct.py
+ rm -f intra_fit.pdb
+ endif
+ rm -rf tmp file_MD000.pdb
endif
touch finished