Re: [PyMOL] protein surface

2003-02-25 Thread Kaushik Raha
Jianghai, Thats correct. To get accessible surface areas for proteins you would have to use some outside program which can generate SASA points. Using the rTools interface for PyMOL it should be straightforward to integrate PyMOL with your SASA program. Check out rTools for PyMOL: http://www.

Re: [PyMOL] protein surface

2003-02-25 Thread Jianghai Zhu
Hi, kaushik, Thanks for the response. Those metheds sound good first, but when I think about it, they are not real accessible surfaces because these surfaces still show those small reentrant shapes between two consecutive atoms. Is there anyway to get around this? Or can I read any surface

Re: [PyMOL] protein surface

2003-02-25 Thread Kaushik Raha
Hi Jianghai, Some of these questions have been answered by Warren: PyMOL doesn't show the solvent accessible surface, rather it shows the solvent/protein contact surface. The solvent accessible surface area is usually defined as the surface traced out by the center of a water sphere, having