Yes, it is intentional. There was an exception being made for biopolymers,
but I removed that with the idea that it was inconsistent with all other
crystal file loading, where the unit cells is shown. The premise is "If you
are asking for a unit cell, you probably want to see it."
As you say, it i
Dear Bob,
In JSmol December 23 2015 (and earlier) the following commands do NOT
display the unit cell nor axes:
load "" {555 555 1} range -7.0;
load "" {1 1 1};
In JSmol May 17, 2016 these commands display the unit cell and axes.
Is this an intentional change?
Its easy enough to turn the uni
OK, a question for the crystallography subgroup:
Nick Greeves has pointed out that some of the unit cell functions have
recently changed (probably when I added generalized data graphing) Here is
the situation:
prior to Jmol 11.8.[what?]
unitcell {0.5 0.5 0.5}
just moved the cell and axes. Only
Bob,
Jmol version 11.1.41 has repaired my problems with atoms at
special positions. It took a little playing around with "hide" and
"display" to get all the bonds drawn corectly, but (so far) all of my cells
with special positions work correctly! See, e.g.,
http://ma
10.9.54 adds the capability to use space group information with
Cartesian coordinate files. Right now, just PDB, but there is no longer
any reason it couldn't also be done with XYZ files and, perhaps, a data
statement.
So Glenn, if you can write those files in PDB format, you can do what
you w
Jmol currently only supports periodicity in the context of a unit cell.
In order to replicate, you need:
1) a file format that supports defining the unit cell (CIF, RES)
2) to define all atom positions in fractional coordinates
3) to define the unit cell parameters
4) to provide a space group nam
Hi,
I have calculated structures in the form of xyz files, and would like to
repeat them periodically, I if have found a menu in jmol which allows you
to draw a unit cell but can't find where to specify the dimension of the
unit cell or the repeat periodicty in the x y or z direction .
Is ther
Hi,
I am trying to read a pdb structure which has an atom as being at 0, 0, 0
but when I read in the file the atom does not appear to load, and when I
use the crystal builder and input the cell parameters, still the
atom/atoms appear. The real structure that I am looking for has an atom at
eca
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