From: Thomas Juettemann <juettemann@gm...> - 2010-07-07 16:47:53
Someone on the pymol list might be able to help you with this.
---------- Forwarded message ----------
From: Anja Pomowski <apomows@...>
Date: Wed, Jul 7, 2010 at 08:22
Subject: [ccp4bb] How to orient molecules in pymol according to the
crystal orientation during data collection?
we were taking UV/ vis spectra of a protein crystal that show
different features depending on the crystal orientation in the beam.
The question is now how to correlate the UV/ vis spectra with the solved
structure. We know that it has a special feature at e.g. image 1 (0°). So
how can we get the orientation of the molecule in pymol so that it
corresponds to its orientation in the crystal at that exact image?
Thanks a lot,
Institut f. Organ. Chemie und Biochemie
AK Prof. Einsle
Tel. 0761 2036088
Fax. 0761 2036161