sure.
load xxx.pdb {1 1 1}
gives you a full unit cell.
unitcell on
gets you the unit cell
axes on
gets you a,b,c axes for the unit cell.
On Tue, Nov 29, 2011 at 3:03 PM, Hans Horn <[email protected]> wrote:
> Folks,
>
> I have a pdb file :
>
> #############
> HEADER
> 09-NOV-11
> TITLE Structure
> 1
> REVDAT 1 09-NOV-11
> 0
> REMARK
> 4
> REMARK 4 COMPLIES WITH FORMAT V. 2.1,
> 25-OCT-1996
> HET UNK A 1
> 2
> FORMUL 1 UNK Mg3
> Cl6
> CRYST1 3.596 3.596 17.590 90.00 90.00 120.00 R -3 m
> -1
> ORIGX1 1.000000 0.000000 0.000000
> 0.00000
> ORIGX2 0.000000 1.000000 0.000000
> 0.00000
> ORIGX3 0.000000 0.000000 1.000000
> 0.00000
> SCALE1 0.278087 0.160553 -0.000000
> 0.00000
> SCALE2 0.000000 0.321107 -0.000000
> 0.00000
> SCALE3 0.000000 0.000000 0.056850
> 0.00000
> HETATM 1 Mg1 UNK 1 0.000 0.000 0.000 1.00
> 0.00 Mg2+
> HETATM 2 Cl1 UNK 2 0.000 0.000 4.535 1.00
> 0.00 Cl1-
> END
>
> ############
>
> I'd like to see the unit cell displayed, as well as the atoms in the unit
> cell generated and displayed.
> Is this possible using jmol?
>
> Thx.,
> H.
>
>
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
------------------------------------------------------------------------------
All the data continuously generated in your IT infrastructure
contains a definitive record of customers, application performance,
security threats, fraudulent activity, and more. Splunk takes this
data and makes sense of it. IT sense. And common sense.
http://p.sf.net/sfu/splunk-novd2d
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