Todd
Have you made any progress with the import?
I am not sure where the additional data (size, etc.) is stored in your
data file, all I see is label, locations. Is the size and bond lengths
stored in the header?
For the data file as you described, the Field list on the right side of
the data prompter should contain two fields -
label - type string, string size 2
locations - type float, structure 3-vector
This will import the labels with the positions component.
The .general file should look something like:
file = atom.data
points = 60
format = ascii
interleaving = field
header = lines 32
field = label, locations
structure = string[2], 3-vector
type = string, float
end
You can cut and paste the above and then open it in the data prompter with
the File->Select Data File to see what I think the data prompter should
look like.
Jeff
On Tue, 3 Apr 2001, Todd McCaskey wrote:
> A correction on my previous email...
>
> I meant to ask "How can I read the coordinate positions from this format?"
>
> Then once I have these coordianates, how can I display EACH ataom in 3-space
> with appropriate data (i.e. size, label, bond lengths, etc)
>
>
> Regards,
> Todd
>
>
>
> Prev. Mesg.
> -----------------------------------------------------------------------------
> -----------------------------------------------------------------------------
> Hello All,
>
> I'm relatively new to DX and having difficulty creating a general file and
> interpreting the data.
>
> I have a data file with 32 lines of header; on the 33rd line the data starts
> in
> this fashion for 60 atoms:
>
> Xe X1 Y1 Z1
> C X2 Y2 Z2
> Si X3 Y3 Z3
> ...
> ...
>
> How can I read this data so that when I extract the coordinates? Once I have
> those coordinates, how can I display that atom in 3-space with the
> appropriate
> data relative the to specific atom (i.e. size, label, etc)?
>
> Regards,
> Todd
>
>
> ----------------------
> Todd McCaskey
> [EMAIL PROTECTED]
> Quantum Theory Project
> University of Florida
> Gainesville, FL 32612
> ----------------------
>
> -------------------------------------------------------------------------------
> -------------------------------------------------------------------------------
>
>
----------------------------------------------------------------------
Jeff Braun Geophysics Dept.
mailto: [EMAIL PROTECTED] Montana Tech
(406) 496-4206 1300 W. Park St.
Butte, MT 59701
