| Hi Frido, Indeed we are also in need of similar stuff. Davide Bau (a postdoc in my lab and also in the IMP-Dev list) has already implemented a sort of a MORSE potential in IMP restraints, which is not what you ask but may be similar. I implemented many many many years ago something similar in CHARMM (http://sgu.bioinfo.cipf.es/martirenom/Thesis/pdf/Thesis.pdf, Chapter 4 page 86). Unfortunately, we are NOT yet ready to commit the changes in the code to the SVN since we are in the middle of production phase (ie, making models) thus would prefer not to update IMP. But I am sure we could do soon. Davide, any comments? :-) m ------- Marc A. Marti-Renom, Head of the Structural Genomics Unit Bioinformatics & Genomics Department, Prince Felipe Research Center Avda. Autopista del Saler, 16 , 46012 Valencia, Spain Tel +34 96 328 96 80 (ext. 1015) Fax +34 96 328 97 01 email ">mmarti@cipf.es web http://sgu.bioinfo.cipf.es On Jan 8, 2009, at 10:00 AM, Friedrich Foerster wrote:
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