Hello all
I have found this procedure useful:
load a molecule
re-orientate it to suit my point of view
menushoworientation
then use the moveto data in a script (on a web page).
On loading, the molecule then orientates itself and shows the user that the
image is not fixed.
Example :
To follow up on my question from last week concerning auto-orientation,
Rolf Huehne very graciously pointed me in the direction of a solution that
he had already crafted for JenaLib. He uses the dimensions of the bounding
box, selected for the atoms of interest, and arrays the longest two vectors
On Tue, 16 Feb 2010 12:04:32 -0800, Thomas Stout thomasjst...@gmail.com
wrote:
To follow up on my question from last week concerning
auto-orientation,
Rolf Huehne very graciously pointed me in the direction of a solution
that
he had already crafted for JenaLib. He uses the dimensions of the
r...@ellerbach.com schrieb:
On Tue, 16 Feb 2010 12:04:32 -0800, Thomas Stout thomasjst...@gmail.com
wrote:
To follow up on my question from last week concerning
auto-orientation,
Rolf Huehne very graciously pointed me in the direction of a solution
that
he had already crafted for JenaLib.
I am doing the same: all atoms in the unique asymmetric unit - sans solvent
- are considered to be the atoms of interest on file loading (even though
in the background I am loading with the packed cell). I have a second
implementation of orient on the GUI that takes and utilizes the current
Thomas Stout schrieb:
Hi All --
Before I embark on re-inventing yet another wheel, I thought I would
ask: has anyone already created a script for choosing an optimal
orientation in which to display a given molecule? I am thinking in
terms of minimizing the overlap of atoms along the
Hi All --
Before I embark on re-inventing yet another wheel, I thought I would ask:
has anyone already created a script for choosing an optimal orientation in
which to display a given molecule? I am thinking in terms of minimizing the
overlap of atoms along the vector of view (z axis), i.e., the
Dear Tom,
one example resides inside Ortep-3 for Windows, a software used in the
crystallographic community to display the structural models. The software
reads both (but not only) data stored in *.cif and *.pdb data format. Its view
menu allows the display of several frequently
no one has done that.
On Fri, Feb 12, 2010 at 4:57 PM, Thomas Stout thomasjst...@gmail.comwrote:
Hi All --
Before I embark on re-inventing yet another wheel, I thought I would ask:
has anyone already created a script for choosing an optimal orientation in
which to display a given molecule?
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