Re: [PyMOL] spheres representation and atomic / ionic radii

2006-07-03 Thread Grégori Gerebtzoff
Hi Michael, I think we face confusion between different types of radii... However I'm not a chemist. In PyMOL, what the sphere representation shows is the van der Waals radius, which by definition is determined from measurements of atomic spacing between pairs of unbonded atoms in crystals

Re: [PyMOL] PyMol question?

2006-07-03 Thread Tsjerk Wassenaar
Hi, You can do this using alter_state: alter_state 1,selection,(x,y,z) = (a11*x+a12*y+a13*z+d1, a21*x+a22*y+a23*z+d2, a31*x+a32*y+a33*z+d3) where a11-a33 are the matrix elements (check whether they have to be transposed) and d1-d3 are the elements of the shift vector. It may