You can use Coot to find the centre of mass. In the scripting window just type:
in scheme: (centre-of-mass yourmoleculenumber) or in python: centre_of_mass(yourmoleculenumber) Bernhard BTW the American spelling of centre (center) should work too... > Dear all, > > I was trying to do a NCS averaging of the map using Resolve. I had a > partial model, which generated a rotation and translation matrix by > program lsqkab. Resolve also requires a center of mass input. Do you > know any program can estimate it either by map or pdb file? > Thanks. > > Nian Huang > Department of Biochemistry > Univ of Texas Southwestern Medical Center > ************************************************************************* * Dipl. phys. * * Bernhard Lohkamp, M.Res. * * * * work: private: * * * * University of Glasgow 15 Hathaway Lane * * Institute of Biomedical and Life Sciences Flat 3/2 * * Joseph Black Building Glasgow * * University Avenue G20 8ND * * Glasgow SCOTLAND * * G12 8QQ * * SCOTLAND * * * * phone: +44-141-3306459 +44-141-5608438 * * fax : +44-141-3306447 mobile +44-7932-717768 * * email: [EMAIL PROTECTED] * * www: http://www.chem.gla.ac.uk/~bernhard * * * *************************************************************************
