Dear colleagues, I want to apply a given x-y-z-rotation/transformation matrix on a pdb file, save the new pdb file and apply the same matrix again on the new pdb file and repeat this e.g. 100 times, thereby saving all pdb files (i.e. 01.pdb, 02.pdb, 03.pdb etc.).
With pdbset this is very easy, but I'm wondering if there is any script to do so because I don't want to manually change file names all the time... I am not very familiar with scripting, but I found something in the internet. Can anybody help please with this i.e. is this a reasonable script to do so? # repeat a spatial transformation on a pdb file n times. #!/bin/csh -f start n=1 until n=x. pdbset xyzin mypdbfile($n).pdb xyzout mypdbfile($n+1).pdb <<eof-1 transform - 0.87831 0.47808 0 0 0 -1. -0.47808 0.87831 0 0.0 -2.713 0.0 eof-1 Thanks a lot, Chris DIPL.-ING. CHRIS FRÖHLICH Crystallography Dept. | Daumke group Max-Delbrück-Centre for Molecular Medicine (MDC) Robert-Rössle-Str. 10 13125 Berlin-Buch Lab: +49(0)30-9406-3263 Office: +49(0)30-9406-3275 Fax: +49(0)30-9406-3814 www.mdc-berlin.de/daumke<http://www.mdc-berlin.de/daumke>
