From: Martin <mar...@gm...> - 2007-03-02 15:47:21
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Am Freitag, 2. M=E4rz 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 centroid as origin and then calculate > the distance of a resi or an atom from the new origin? I do this by using gromacs tools, g_traj and then creating a new atom with = the=20 coordinates in the xvg. =2D-=20 Da die vier deutschen U-Bahnen nicht am =F6ffentlichen Stra=DFenverkehr teilnehmen, gen=FCgen sie selbstverst=E4ndlich den Regeln der StVO - n=E4mlich in dem Sinne, da=DF sie ihnen nicht widersprechen. (J=FCrgen Hoffmann in de.etc.bahn.stadtverkehr) |