Jon, > To group the following atoms: > > ATOM 688 CG ASP A 87 > ATOM 689 OD1 ASP A 87 > ATOM 690 OD2 ASP A 87 > ATOM 1247 OG SER A 157 > ATOM 1259 OG1 THR A 159 > ATOM 1861 CZ3 TRP A 234 > ATOM 1862 CH2 TRP A 234
select mysel, a/87/cg+od1+od2 | a/157/og | a/159/og1 | a/234/cz3+ch2 or select mysel, id 688+689+690+1247+1259+1861+1862 Cheers, Warren -- Warren L. DeLano, Ph.D. Principal Scientist . DeLano Scientific LLC . 400 Oyster Point Blvd., Suite 213 . South San Francisco, CA 94080 . Biz:(650)-872-0942 Tech:(650)-872-0834 . Fax:(650)-872-0273 Cell:(650)-346-1154 . mailto:war...@delsci.com > -----Original Message----- > From: pymol-users-ad...@lists.sourceforge.net > [mailto:pymol-users-ad...@lists.sourceforge.net] On Behalf Of > Jon Binkley > Sent: Monday, January 31, 2005 1:10 PM > To: PyMOL users mailing list > Subject: [PyMOL] Multiple ATOM selection > > > Greetings, > > I want to define and display a patch of functionally related > atoms on a > protein-- but only the individual atoms of interest, not the > entire residues to which they might belong. Is there a way > to select atoms by their serial number in the PDB file, > rather than name or residue membership? Failing a direct > selection, is there another way I can group multiple, > disparate atoms into a single selection? > > This is the best I've come up with so far, using residue and name: > > To group the following atoms: > > ATOM 688 CG ASP A 87 > ATOM 689 OD1 ASP A 87 > ATOM 690 OD2 ASP A 87 > ATOM 1247 OG SER A 157 > ATOM 1259 OG1 THR A 159 > ATOM 1861 CZ3 TRP A 234 > ATOM 1862 CH2 TRP A 234 > > I give the following four selection commands: > > select a87, (resi 87 and name CG,OD1,OD2) > select a157, (resi 157 and name OG) > select a159, (resi 159 and name OG1) > select a234, (resi 234 and name CZ3,CH2) > > Which leaves me with with 4 separate selections. What's the > most efficient way to get a single selection or object out of this? > > Many thanks in advance, > > -Jon Binkley > > > > ------------------------------------------------------- > This SF.Net email is sponsored by: IntelliVIEW -- Interactive > Reporting Tool for open source databases. Create drag-&-drop > reports. Save time by over 75%! Publish reports on the web. > Export to DOC, XLS, RTF, etc. > Download a FREE copy at http://www.intelliview.com/go/osdn_nl > _______________________________________________ > PyMOL-users mailing list > PyMOL-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/pymol-users >
