Bob,
thx for the clarifications about "REMARK 290".
Btw., I'm able to hide the atom at (0,0,17.59) (which is equivalent by
translational symmetry to the atom at (0,0,0)) by issuing:
$ display remove cell=556 (or cell={1 1 2})
(1 atoms hidden)
but *NOT* by issuing:
$ display cell=555
(0 atoms hidden)
I guess there're still things I don't get!
Thx.,
Hans
P.S. btw, it's my 2nd day using jmol - so bear with me if I'm asking
seemingly stupid questions.
On 11/30/2011 3:15 PM, Robert Hanson wrote:
On Wed, Nov 30, 2011 at 2:09 PM, Hans Horn <[email protected]
<mailto:[email protected]>> wrote:
Bob,
$ display cell=555
0 atoms hidden
(all 10 atoms shown)
$ display cell=556
9 atoms hidden
exactly. So you would use
display cell=555 and not cell=556
if you want to remove that particular atom.
Would you mind reiterating about what I should do about "REMARK 290".
thx,
H.
REMARK 290 allows you to specify the specific Jones-Faithful operators
that define a space group. CIF files generally provide these, and PDB
files do as well. I don't know what access you have to that. Check
that message I sent for the format. If you can't provide that, that's
OK, but realize that some space groups can have different settings, or
different origins, so the space group name itself (unless it is a Hall
name) is not always sufficient.
Bob
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