Re: [PyMOL] Multiple ATOM selection

[Michael G. L. <ml...@um...>]

select thingy, id 688+689+690+1247+1259+1961+1862

  - for some reason, 688-690... doesn't seem to work for me
  - i've had problems with id in the past .. PyMOL used to re-number
    things, but i don't think it re-numbers them these days (i could easily
    be wrong about this)
  - be careful in scripts: 'id' is a builtin python function.  if you're
    using it as a variable name, use something like ID instead.

you could also use

select thingy, 87/CG+OD1+OD2 or 157/OG or 159/OG1 or 234/CZ3+CH2

actually, the second way seems more meaningful to me anyway.

-michael

--
This isn't a democracy;|                        _  |Michael Lerner
  it's a cheer-ocracy.  | ASCII ribbon campaign ( ) |   Michigan
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                        |                       / \ | mlerner@umich

On Mon, 31 Jan 2005, Jon Binkley wrote:

>
> 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
>
>
>
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