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

RE: [PyMOL] Callsbacks to mouse event

2003-05-20 Thread Warren L. DeLano
The safe answer is "no". In truth, it is possible to get some information through the Wizard mechanism, but the approach is complex, undocumented, and likely to change. you want to use PyMOL as a front-end for PyOpenGL, the development work to support this hasn't yet been done. Sorry. Cheers

RE: [PyMOL] how to show sticks for the side-chains of selected residues

2003-05-20 Thread Warren L. DeLano
Yibin, show sticks, (not name c,n,o) show cartoon set cartoon_smooth_loops, 0 and perhaps set cartoon_flat_sheets, 0 Cheers, Warren -- mailto:war...@delanoscientific.com Warren L. DeLano Principal DeLano Scientific LLC Voice (650)-346-1154 Fax (650)-593-4020 -Original Message- F

[PyMOL] how to show sticks for the side-chains of selected residues

2003-05-20 Thread yibin xu
Dear All, I want to show sticks for only side-chains (CA and beyond CA) of selected residues in the cartoon mode. Is there an easy way to do that ( my way is to use SELECT followed by showing sc but mc atoms are still displayed)? Thank you very much in advance. Regards yibin