Re: [PyMOL] distance atom-protein surface

2007-01-11 Thread Praedor Atrebates
I needed to have a measurement of the "actual" physical long dimension of a protein model to compare with x-ray scattering data. I activated the surface mesh feature and at the extreme ends of the longest axis, right at the surface boundary, created a carbon atom at each position, then simply u

Re: [PyMOL] distance atom-protein surface

2007-01-10 Thread Andreas Henschel
Hi Giacomo, you can either create an atom at that position (see eg. http://www.rubor.de/bioinf/tips_python.html#chempy) and than use the distance command (or wizard). Or you can get the position of your first atom and simply calculate the distance of the two positions, sth. like: class MyAt

[PyMOL] distance atom-protein surface

2007-01-10 Thread Giacomo Bastianelli
Dear Pymol users, I would like to measure the distance between an atom and a specific point (not another atom) in the surface of the protein. Is it possible with pymol? do I need additional scripts? Thanks in advance, Giacomo Bastianelli