OK, Otis. We are making progress. With this next revision, imines should
work, and there is the possibility that cumulenes will work. The
qualification is that if the starting cumulene has no hydrogens at all (for
example, just C=C=C), Jmol won't be able to handle it, because it adds the H
atoms
Dear users,
I am looking on a way or something that allows saving only the PDB
coordinates of the all hetero atoms in protein complex from protein data
bank. I can visualize all these hetero atoms and save the picture, but I
cannot save the PDB. When I try to do it, I receive the complete protein
Hi Albertsson
Using a script:
http://chemapps.stolaf.edu/jmol/docs/#writemodel
says only selected atoms are saved
From the popup menu, I think you can only do this in MOL format:
Show Extract MOL data
--
SOLARIS 10
Thomas,
I am gladI could help you and I don't have any objections to both proposals.
Regards,
Rolf
Thomas Stout schrieb:
Rolf --
I have now had a chance to locally implement your approach to this
question of optimal orientation. What you have done is exactly what
I wanted was
Can you define more precisely what is you are doing to position according to
the boundbox?
Jmol has, since ancient times, commands to orient according to Top, Bottom,
etc, which I'd
say are related to the boundbox. In fact, I've never seen much advantage in
having them in
the menus for
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
Hello-
I have been getting atom properties by atom number:
e.g.
document.getElementById(appletID).getPropertyAsString(atomInfo[1].color)
I am working with some script issues that force me to get atom properties by
atomIndex. Is there any way to use atomIndex as the atomInfo array index?
I've
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