[MMTK] atom position error

Berit Hinnemann Berit.Hinnemann@fysik.dtu.dk
Fri, 19 Apr 2002 10:38:05 +0200


Hi Michael,

MMTK measures the coordinates internally in nm, whereas they are
indicated in Angstrom in the pdb file. Thus the positions are read in
OK, but if you want them to be given out in nm, you should write

print bilirubin.atoms[0].position()/Units.Ang

In the Units module there are all the conversions from the MMTK internal
units to other ones.

Best regards,
Berit
-- 
Berit Hinnemann
Center for Atomic-Scale Materials Physics (CAMP)
Dept. of Physics, Technical University of Denmark
Building 307, DK-2800 Lyngby, Denmark 
Phone: +45 4525 3209, Fax: +45 4593 2399