VMD-L Mailing List
From: Thomas C. Bishop (bishop_at_latech.edu)
Date: Wed Jul 08 2015 - 09:51:10 CDT
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e.g. here's line from a script I use.
set notwat [atomselect top {not (water or name "Cl\-" "Na\+" "K\+" ) } ]
By habit i usually use "" 's like
set sel [atomselect top " name OH" ]
but have to use the top method with {}'s when want to include the +/- signs.
IF making a movie you can also need to pay attention to the
selection update (each frame or not) depending on what you are trying to show.
you can also select by charge if the names give you trouble :-)
TOm
On 07/07/2015 03:47 AM, Daniel Möller
wrote:
Hi, try: (all within 5 of resname S2P) and resname "Na\+" Is 'resname "Na\+"' a correct selection? Mabe 'type Na' works too. (try it as a new representation which selection works) Sincerely Daniel Möller -----Ursprüngliche Nachricht----- Von: owner-vmd-l@ks.uiuc.edu [mailto:owner-vmd-l@ks.uiuc.edu] Im Auftrag von Parker de Waal Gesendet: Dienstag, 7. Juli 2015 04:57 An: vmd-l@ks.uiuc.edu Betreff: vmd-l: Sodium within distance Hello Everyone, I would like to select Na+ ions within 5A of a phosphoserine residue to display for a movie, however the following command does not work: resname "Na\+" within 5 of resname S2P Does anyone have any suggestions as to how I can get this to work? Best, Parker
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