aargh! Yes -- ignore me Listen to Rolf I've just been working so
much with alternative locations recently!
On Fri, Nov 5, 2010 at 6:21 AM, Rolf Huehne wrote:
> On 11/04/2010 06:52 PM, Robert Hanson wrote:
> > On Thu, Nov 4, 2010 at 12:24 PM, Dr. Christoph Gille <
> > christoph.gi...@char
On 11/04/2010 06:52 PM, Robert Hanson wrote:
> On Thu, Nov 4, 2010 at 12:24 PM, Dr. Christoph Gille <
> christoph.gi...@charite.de> wrote:
>> Two questions:
>> 1. How to specify pdb insertion codes in selections
>>
>
> %x
>
> so, for example,
>
> select %A // just the "A" set
> select
On Thu, Nov 4, 2010 at 12:24 PM, Dr. Christoph Gille <
christoph.gi...@charite.de> wrote:
> >select 1.1
> >save coordinates 1
>
> Thanks Bob,
> superposition works fine now.
>
>
> Two questions:
> 1. How to specify pdb insertion codes in selections
>
%x
so, for example,
select %A //
save/restore coordinates saves coordinates in an array of point3f -- not
much different from float[], I think.
also, that operates on the currently selected set, so you can just use
select 1.1
save coordinates 1
select 1.1
restore coordinates 1
But since you will probably be looking at appl
Hi Bob
I looked at some examples of the save-command.
It seems that the state of all loaded molecules was saved.
Is it possible to save just the one model under consideration?
If you say that this is potentially memory consuming,
I might rather save the coordinates in a flat float[] array.
Each
Hi Bob,
> save coordinates
> restore coordinates
this might be a straight forward method.
I have to test this immediatly and will come back soon!
Thanks!
--
The Next 800 Companies to Lead America's Growth: N
Hi Angel,
> Christoph, how do you define "current coordinates"?
I mean the coordinates after performing a rotation / translation in contrast to
the original coordinates
in the protein file.
I always want to start the rotation/ translation from the original PDB
coordinates.
This is probably not
Christoph,
So rotateSelected is what you want. (Also just two words: ROTATE SELECTED.)
As Angel mentions, I don't think you will run into any trouble here unless
you want to apply multiple rotation/translations. In that case, you could
save the rotation/translation as a Jmol variable in the form o
Christoph, how do you define "current coordinates"?
As far as I understand, the (xyz) coordinates of the atoms do not
change when you rotate or translate. So current=original at all
times.
rotateSelected does change the atom positions relative to the rest of
the model, so it does change the xyz
