[phenixbb] atom selection syntax (fork Documentation in last Dev versions)
rwgrosse-kunstleve at lbl.gov
Thu Mar 22 02:08:37 PDT 2012
These are boolean "and" and "or".
"chain A and resid 1" selects all atoms with resid 1 in chain A, but not
any atoms in chain B.
"chain A or chain B" selects all atoms in chain A and (regular language)
all atoms in chain B.
Once you get use to it it makes total sense.
On Thu, Mar 22, 2012 at 1:04 AM, Alexander Batyuk <batyuk at bioc.uzh.ch>wrote:
> Dear Nat,
> Does that mean in your selection example that both chain A and chain C
> will be refined with anisotropic ADP or either one or another? I'm a bit
> confused with selection operator "or". And I was trying to put "and", which
> did not work.
> Best wishes,
> On 21 Mar 2012, at 18:55, Nathaniel Echols wrote:
> > On Wed, Mar 21, 2012 at 10:48 AM, Alexander Batyuk <batyuk at bioc.uzh.ch>
> >> Thank you, I'm trying to do a refinement in GUI and had to look up
> something in docs. Actually, I was looking for how to select say, chain A
> with residues 1-10 and all chain C for anisotropic ADP refinement in GUI?
> It seems that I can select only one chain with certain residues but not
> two.. Could you point me to the right direction, please?
> > Hmm, not sure why this wouldn't work. Are you using the graphical
> > editor or typing in the selection manually? The editor seems to work
> > fine in "select range" mode (see image attached). The selection
> > syntax is pretty simple too:
> > (chain A and resseq 1:10) or (chain C)
> > -Nat
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> Alex Batyuk
> The Plueckthun Lab
> phenixbb mailing list
> phenixbb at phenix-online.org
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