Mon., April. 13th 2009 EBI On Sun, 12 Apr 2009, rui wrote:
Hi, All I have dozens of complex structures ( protein + ligand ) and want to align the structures based on the ligand. Does anyone know such kind of program? Or if can get the information around the ligand site, that would be even better. Thanks. R
long time ago I used ProFit for exactly want you want, giving it only the ligand atom list for the fitting, then looking for the different protein environment. There is now a new version of the program.
http://www.bioinf.org.uk/software/profit/ Good luck Miri ------------------------------------ Dr Miri Hirshberg European Bioinformatics Institute UK http://www.ebi.ac.uk Phone: +44 (0) 1223 492647 FAX: +44 (0) 1223 494487 ------------------------------------
