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[ccp4bb]: modifying unit cell


I would like to compare an X-ray structure (pdb file) to an electron crystallography data. The problem is that the EM xtal (P3 packing) is the {1 1 1} view of the x-ray (P21212 packing). I managed to rotate the molecule to the desired view but I don't know how to modify the coordinates to the EM unit cell.  I figured out the transformation matrix that needs to be applied, but is there a program that modifies PDB files like this (pdbset doesn't).

Thanks a lot for the help,


Daphna Frenkiel
Dept. Organic Chemistry
Weizmann Institute of Science
Rehovot, 76100, Israel
Tel: (972)-8-934-2513
Fax: (972)-8-934-4142
E-mail: daphna.frenkiel@weizmann.ac.il