Hi, I would like to examine the approximate volume of different residues in a protein. To do this, I would like to add a centroid for each residue, and visualise the volume by using different sphere-sizes.
Is there a built-in function to find center of mass for a selection of atoms? The center command looks promising, can I get the coordinates of the center of mass using that? (feks using get_view() or similar?) Can I add a centroid "atom" to a residue in PYMOL? Would it be translated and rotated along with the residue if I move the structure around afterwards? Any pointers much appriciated :) Cheers, Siv -- Siv Midtun Hollup PhD Student Dept. of Informatics University of Bergen, Norway s...@ii.uib.no (NOTE: new email adress) - Blessed are the flexible, for they can be tied into knots. -
