Re: [ccp4bb] apply a spatial transformation on a pdb file n times

2012-06-27 Thread Robert Esnouf
: rob...@strubi.ox.ac.uk Tel: (+44) - 1865 - 287783 and rob...@esnouf.comFax: (+44) - 1865 - 287547 Original message >Date: Wed, 27 Jun 2012 09:03:13 + >From: CCP4 bulletin board (on behalf of "Froehlich, Chris" ) >Subject: [ccp4bb] apply a spatial

Re: [ccp4bb] apply a spatial transformation on a pdb file n times

2012-06-27 Thread Paul Emsley
On 27/06/12 10:03, Froehlich, Chris wrote: 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,

[ccp4bb] apply a spatial transformation on a pdb file n times

2012-06-27 Thread Froehlich, Chris
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,