Hi Francois, a non-ccp4 tool:
if you have PHENIX installed then: iotbx.pdb.box_around_molecule model.pdb will do it (if I correctly understood you question). You can also specify a buffer region around a molecule: iotbx.pdb.box_around_molecule model.pdb --buffer-layer=5 Pavel. On 3/24/10 12:18 AM, Francois Berenger wrote:
Hello, Is there a ccp4 tool to find automatically the smallest virtual orthogonal "box" that contain a given PDB ? Even if your favorite tool is not part of ccp4, I would be happy to know about it. ;) Thanks, Francois.
