Re: [PyMOL] center of mass and distances

2007-03-02 Thread Andreas Henschel
Hi Filippo, Here is a python script that calculates the Center of mass for a given selection and creates a CGO sphere there. It is is not 100% exact as it only weighs C-Alpha atoms. This is exactly how pymol centers selections: when you run the script, the domain is centered and if you rotate

Re: [PyMOL] center of mass and distances

2007-03-02 Thread Martin Höfling
Am Freitag, 2. März 2007 schrieb Filippo Marchioni: > Hi all! > Two questions: > Does anyone know how to read the coordinates (x,y,z) of a selected atom > in a protein? > Or even better > Does anyone know how to visualize the center of mass of the protein, > reset the axis (x,y,z) using the centroi

[PyMOL] center of mass and distances

2007-03-02 Thread Filippo Marchioni
Hi all! Two questions: Does anyone know how to read the coordinates (x,y,z) of a selected atom in a protein? Or even better Does anyone know how to visualize the center of mass of the protein, reset the axis (x,y,z) using the centroid as origin and then calculate the distance of a resi or an atom f