That's an NMR structure so does not have a unit cell. Makes one
wonder if it/they should have a CRYST1 card at all!
-Tom
Sent from a tiny virtual keyboard.
On Dec 24, 2009, at 11:27 PM, jaime.prilu...@weizmann.ac.il wrote:
Jmol (11.5.35 and 11.8.9) can't open PDB 3irj,
reporting this
According to Thomas Stout thomasjst...@gmail.com:
That's an NMR structure so does not have a unit cell. Makes one
wonder if it/they should have a CRYST1 card at all!
-Tom
Thank you for pointing this out.
According to http://www.wwpdb.org/documentation/format23/sect8.html
it's valid to have
Dear everyone
My name is Fendy and I would like to ask a question
I'm doing a research using VASP for simulation of CO oxidation on the surface
of Au/CeO2 catalyst...I heard that I could visualize the trajectories of my
simulation using jmol...Could any one give me a clue how to use Jmol to
Excellent! I've been interested in working with someone on surface depiction
-- it's one of the areas Jmol is not totally set up for.
Please send us some file examples, and we can see what we can do. And share
with us a bit about the sort of rendering that you would love to have but
maybe don't
This is fixed for Jmol 11.9.13 and Jmol 11.8.15
On Fri, Dec 25, 2009 at 1:27 AM, jaime.prilu...@weizmann.ac.il wrote:
Jmol (11.5.35 and 11.8.9) can't open PDB 3irj,
reporting this error:
script ERROR: Error reading file at line 192:
CRYST11.0001.0001.000 0.00 0.00 0.00
Did I forget to send this?
This video demonstrates a first go at incorporating multi-touch capability
into Jmol.
http://www.youtube.com/watch?v=7x8uDRQKIg0
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
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