Re: [PyMOL] negative image of binding cavity

2010-12-03 Thread Jason Vertrees
Hi Thomas, PyMOL can detect cavities and voids on its own. From the upper control window, select Settings > Surface > Cavities and Pockets and then show your object or selection as surface, which will show the cavities as surface, not the outer molecular surface. If you need a properly vetted

Re: [PyMOL] negative image of binding cavity

2010-12-03 Thread Michael Lerner
I find HOLLOW (http://hollow.sourceforge.net/) to be quite good. On Fri, Dec 3, 2010 at 12:15 PM, Thomas Evangelidis wrote: > Dear Pymol users, > > I want to display clearly the volume of a buried cavity inside my protein. > Does anybody know how to do this? I've tried CastP and Caver plugins > a

Re: [PyMOL] negative image of binding cavity

2010-12-03 Thread Hongbo Zhu
Hi, Tom, have a look at MSPocket: http://appserver.biotec.tu-dresden.de/MSPocket/ It uses MSMS to generate protein solvent excluded surface (SES) and then detects pockets on the SES. It also calculates the volume for cavities (internal pockets buried in proteins) based on the SES. cheers, hongbo

[PyMOL] negative image of binding cavity

2010-12-03 Thread Thomas Evangelidis
Dear Pymol users, I want to display clearly the volume of a buried cavity inside my protein. Does anybody know how to do this? I've tried CastP and Caver plugins already, but they do not produce exactly the volume I want to display. I would greatly appreciate any advice. thanks, Tom -