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As far as I understand this sounds pretty much like what escet is there for. What prevented you from using it? -- Tim Gruene Institut fuer anorganische Chemie Tammannstr. 4 D-37077 Goettingen GPG Key ID = A46BEE1A On Wed, 1 Feb 2006, 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 >
