[Jmol-users] Jmol and multiTouch

2009-12-25 Thread Robert Hanson
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

Re: [Jmol-users] Jmol cannot invert matrix 3IRJ

2009-12-25 Thread Robert Hanson
This is fixed for Jmol 11.9.13 and Jmol 11.8.15 On Fri, Dec 25, 2009 at 1:27 AM, 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 P 1 1 > " ca

Re: [Jmol-users] How to add bonds for inorganic compoud from the OUTCAR file of VASP

2009-12-25 Thread Robert Hanson
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 ha

[Jmol-users] How to add bonds for inorganic compoud from the OUTCAR file of VASP

2009-12-25 Thread Fendy Digislash
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

Re: [Jmol-users] Jmol cannot invert matrix 3IRJ

2009-12-25 Thread jaime . prilusky
According to "Thomas Stout" : > 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 CRYST1 an all

Re: [Jmol-users] Jmol cannot invert matrix 3IRJ

2009-12-25 Thread Thomas Stout
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 t