Re: [Jmol-users] Can Jmol get the molecule in 3D

Mon, 29 Jan 2007 12:30:52 -0800

yea the file was created by jme so it's 2D file. I guess I was thinking something like in chemoffice or others like it after you draw in a molecule you can ask it to look at the torsion angles and it will reduce the energy and all that good stuff. But I'm happy with it just working at the moment. THX

    Paul


Research Technician
Mass Spectrometry
   o The
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o Scripps
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   o Research
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o Institute


Angel Herraez wrote: 
I am opening two new threads for Paul questions in his last post to " loading jmol file from 
open babel"

On 29 Jan 2007 at 10:44, H. Paul Benton wrote:

[snip]
  
 To all the other uses I have one more question to ask "Can Jmol get the molecule it a 3D 
manner, so it looks at the bond angles?" 
    

Paul, what do you exactly mean? I guess your files may be 2D, then it's not Jmol fault. If the 
loaded file has 3D coordinates, Jmol will show it 3D. But sometimes models have only 2D, 
then there is nothing that can be done by Jmol.


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