Figured it out thanks,
hkl should be in quotation marks
e.g.
select within(3.0, "hkl", {0 0 1})
steve
>>> "Stephen Hillier" <s.hill...@macaulay.ac.uk> 01-Jan-10 10:05 PM >>>
I also have question about selecting
after loading a range of unit cells from a CIF file I'm trying to figure out
how to use 'select within..' to select some atoms near a plane e.g:
but I get an error message and can't figure out what I'm doing wrong:
$ load "" {3 3 1} packed
$ select within(3.0, hkl, {0 0 1})
script compiler ERROR: invalid expression token: hkl
----
select within(3.0, <<<<
$
Jmol is version 11.8.15,
Happy New Year, and thanks for any help,
steve
>>> Robert Hanson <hans...@stolaf.edu> 01-Jan-10 7:32 PM >>>
select atomno >= xxx and atomno <= yyyy
On Wed, Dec 30, 2009 at 2:42 AM, Aya <a...@iit.edu> wrote:
Hello,
I need to select a range of atoms using their atomno. When I use, for
example, select(*)[first atom no.][last atom no.], it seems to be
shifting the selection by some 14 atoms.
When I hover over the atoms, they have the same atomno as the pdb, and
is still out of the specified range. Yes, both first and last atoms
are listed although not every atom within the range is listed. If
this is causing the problem, is there another way to select a range
by atom number - not residue.
Thank you,
Aya
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