A challenge for Thomas Schneider I think? Eleanor
I guess I would start by comparing the multimers if they are conserved, and you can construct them from the new pisa server
http://www.ebi.ac.uk/msd-srv/prot_int/pistart.html Eleanor Michael Hothorn wrote:
*** For details on how to be removed from this list visit the *** *** CCP4 home page http://www.ccp4.ac.uk *** Dear list members, I have solved a small proteins structure in seven different crystal forms. These forms show very different symmetry, contain between 1 and 4 mols/AU and cover a wide pH range. I would like to know, whether there are significant structural changes. Currently, I have superimposed all molecules from all different crystal forms onto one reference molecule by hand. Is there a piece of software that does this analysis in a bit more clever way (e.g. taking into account resolution, refinement statistics, crystal packing)? I heared about ESCET from Thomas Schneider, but so far I could not try it out. In the end, I would like to present a figure that shows rigid structural parts in blue and flexible parts in red (e.g. via some value in the B-factor column). any suggestions or comments ? thank you! Michael Hothorn Structural & Computational Biology Programme European Molecular Biology Laboratory (EMBL) Meyerhofstrasse 1 69117 Heidelberg Tel: 0049(0)6221 387 268 (office) Tel: 0049(0)6221 387 609 (lab) http://www.hothorn.de
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