From: Anna Karawajczyk (
Date: Thu Oct 06 2005 - 02:35:09 CDT


I have a problem with saving new coodrinates for two molecules.
I would like to determine the distance between spin probes in an aggregate
of identical molecules. After loading two of these molecules (the same pdb file
loaded twice) in the program and after translation and rotation of one of them I
managed to create the aggregate (at least on the screen). However, the program
is still using the original coordinates of the pdb file for calculation of the
intermolecular distance. For this reason the distance between two identical
atoms in two different molecules (displayed at the screen) is equal to zero.

Do you know a way to transform the coordinates of the molecule shown in the
screen to a new set of coordinates? And later to save the new set of coordinates
for both molecules as a one pdb or xyz file?

Thank you very much for any help in advance,

Anna Karawajczyk, PhDs
Leiden Institute of Chemistry, Gorlaeus Laboratories,
Leiden University
Einsteinweg 55,  P.O. Box 9502
2300 RA  Leiden, The Netherlands.
Phone:        +31 71 527 4344    TeleFax:      +31 71 527 4603
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