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From: andrea spitaleri (spitaleri.andrea_at_hsr.it)
Date: Fri Aug 04 2006 - 04:41:00 CDT
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Hi all,
quick and I guess easy question:
I have a cubic box of water+protein and I'd like to visualize the protein and water molecules lying
on the edge of the box. That what I did:
set pro [atomselect 0 "protein"]
set edge [atomselect 0 "water and not (water within 10 of protein)"]
Is it correct or there is a quickest way?. And then what about for a triclinic and octahedron box?
How do I set the different cutoff long the xyz directions?
Thanks in advance
Regards
andrea
-- ------------------------------- Andrea Spitaleri Dulbecco Telethon Institute c/o DIBIT Scientific Institute Biomolecular NMR, 1B4 Via Olgettina 58 20132 Milano (Italy) http://biomolecularnmr.ihsr.dom/ ------------------------------- ******************************************************************** Sostieni la ricerca del San Raffaele con il 5permille! E' SEMPLICE E NON COSTA NULLA. Basta indicare nell'apposito riquadro della dichiarazione dei redditi ("Ricerca sanitaria") il codice fiscale della Fondazione Centro S. Raffaele del Monte Tabor: 03 06 42 80 153 e ricordarsi di firmare. Se vuoi saperne di piu' scrivi a 5permille_at_hsr.it o vai sul sito www.5xmille.org
- Next message: Axel Kohlmeyer: "Re: select only border of the water box"
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