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Hi, On Wed, Mar 24, 2010 at 04:18:04PM +0900, Francois Berenger wrote: > Hello, > > Is there a ccp4 tool to find automatically the smallest virtual > orthogonal "box" that contain a given PDB ? echo END | pdbset xyzin your.pdb xyzout /dev/null | \ awk '/Orthogonal Coordinate limits/,/On Z/' might give you that info. Cheers Clemens -- *************************************************************** * Clemens Vonrhein, Ph.D. vonrhein AT GlobalPhasing DOT com * * Global Phasing Ltd. * Sheraton House, Castle Park * Cambridge CB3 0AX, UK *-------------------------------------------------------------- * BUSTER Development Group (http://www.globalphasing.com) ***************************************************************