[Chimera-users] Select atom by serial number.
Jean Didier Pie Marechal
JeanDidier.Marechal at uab.cat
Tue Jan 16 04:05:24 PST 2007
Hi Elaine and thank you very much for your help.
I am pleased to see the selection specifications are OK. Coming back from the WE, I retried this selection on my structure and... it works perfect...
For once, it seems I needed a reboot more than my desktop...
My apologies for your waste of time.
Dr. Jean-Didier Maréchal
Unitat de Química Física
Departament de Química
Universitat Autònoma de Barcelona
08193 Cerdonyola (Barcelona)
e-mail: JeanDidier.Marechal at uab.es
----- Missatge original -----
De: Elaine Meng <meng at cgl.ucsf.edu>
Data: Dijous, Gener 11, 2007 8:59 pm
Assumpte: Re: [Chimera-users] Select atom by serial number.
> Hi JD,
> We also tested Chimera 1.2309 on Windows, and these specifications
> work correctly. Example:
> Command: sel @/serialNumber=232
> will select NZ of Lys 27 in chain A of the PDB entry 1zik. The
> other thing I can think of (besides what was in the previous
> is to check if your PDB file is correctly formatted. The
> serial number is supposed to be in columns 7-11 and right-justified.
> On Jan 11, 2007, at 11:39 AM, Elaine Meng wrote:
> > Hi JD,
> > You are using the correct specifications - both of your examples
> > should work. I tested both approaches in Chimera 1.2304 on Mac
> > and they worked correctly. We'll have to look into your
> > version/platform and get back to you. If you want, you could
> > me the PDB file you are using so I could test if there is some
> > issue specific to that structure. To be clear: the serial
> > is the number shown in the column after ATOM (or HETATM) in the
> > file, regardless of what order the atoms are really in. That
> > if the first ATOM has 2 in that column, its serial number is 2
> > not 1.
> > Best,
> > Elaine
> > -----
> > Elaine C. Meng, Ph.D. meng at cgl.ucsf.edu
> > UCSF Computer Graphics Lab and Babbitt Lab
> > Department of Pharmaceutical Chemistry
> > University of California, San Francisco
> > http://www.cgl.ucsf.edu/home/meng/index.html
> > On Jan 11, 2007, at 10:47 AM, Jean-Didier Maréchal wrote:
> >> Hi Everyone,
> >> I am desperately trying to select an atom of my pdb by its
> >> number.
> >> Looking at the archives, it seems that I should put something
> >> @/serialNumber=525
> >> I tried “sel #0@/serialNumber=525” in the commandl ine and “@/
> >> serialNumber=525” in the Atom Specifier. None of these
> >> worked. Can someone tell me the right way to do this, please ?
> >> Cheers
> >> JD
> >> Current running chimera: version 1 build 2309
> >> OS: windows
> >> _______________________________________________
> >> Chimera-users mailing list
> >> Chimera-users at cgl.ucsf.edu
> >> http://www.cgl.ucsf.edu/mailman/listinfo/chimera-users
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