subject:"RE\: \[PyMOL\] select buried water molecules"

Re: [PyMOL] select buried water molecules

2003-05-20 Thread Anthony Duff

Bartholomeus, Your question seems to be essentially the same as one asked on the ccp4bb last year. Here is the answer to that question. Re: [ccp4bb]: Waters! To: r...@poori.biochem.uiowa.edu Subject: Re: [ccp

RE: [PyMOL] select buried water molecules

2003-05-20 Thread Warren L. DeLano

Bartholemeus, No, there isn't any way to do this directly with the selection language. The closest you can get is to simply select the waters in proximity to protein atoms. select close_waters, hoh/ within 3.1 of not hoh/ You could then use some external tool to calculate the SASA of