Re: [PyMOL] surface area calculation

2009-04-21 Thread Folmer Fredslund
Dear Luisa, 2009/4/21 Maria Luisa Rodrigues mlrodrig...@igc.gulbenkian.pt: Dear all, Is there any PyMOL command to calculate surface areas? Many thanks, Did you try to search for information yourself first? Anyways, the pymolwiki.org is always a good place to go and then you would have

RE: [PyMOL] surface area calculation

2003-11-12 Thread Warren L. DeLano
Joel, Yes, PyMOL does have this capability, but it is immature and not routinely validated. The basic concepts are: 1) get_area selection command will return the effective surface area of the dots that you would see from show dots, selection. This is a discrete approximation -- not an exact

RE: [PyMOL] surface area calculation

2003-11-12 Thread Warren L. DeLano
Message- From: pymol-users-ad...@lists.sourceforge.net [mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of Kaushik Raha Sent: Wednesday, November 12, 2003 2:50 PM To: Harp, Joel M Cc: pymol-users@lists.sourceforge.net Subject: Re: [PyMOL] surface area calculation To calculate surface