Feature Requests item #995596, was opened at 2004-07-21 23:15
Message generated for change (Comment added) made by ngreeves84
You can respond by visiting: 
https://sourceforge.net/tracker/?func=detail&atid=379136&aid=995596&group_id=23629

Category: None
Group: None
Status: Open
Priority: 5
Submitted By: Nick Greeves (ngreeves84)
Assigned to: Nobody/Anonymous (nobody)
Summary: Support for Spartan files? 

Initial Comment:
I am interested in making animated sequences for Jmol such as 
the cyclohexane chair on
http://jmol.sourceforge.net/demo/animation/ using Spartan 02 
http://www.wavefun.com/
I'm attaching an example of the Spartan output (this reaction is the  
electrocyclic reaction of butadiene but that is incidental). I'll also 
upload a single structure of valine.

It would be useful if Jmol could read these directly.

----------------------------------------------------------------------

>Comment By: Nick Greeves (ngreeves84)
Date: 2004-08-12 14:33

Message:
Logged In: YES 
user_id=941641

Thanks Miguel,
I have asked Wavefunction, listing the formats currently supported.
Nick

----------------------------------------------------------------------

Comment By: Miguel (migueljmol)
Date: 2004-08-12 14:11

Message:
Logged In: YES 
user_id=1050060

Yes, we should try to find the binary file format. 

Nick, can you search the web and/or ask the Spartan people
for the format specification in electronic format? 

If it is a simple format then I will help Egon build a
reader for the binary file. 


Miguel


----------------------------------------------------------------------

Comment By: Egon Willighagen (egonw)
Date: 2004-08-12 12:38

Message:
Logged In: YES 
user_id=25678

I don't have experience with parsing binary files... Is a detailed 
format description available online? 
 
Alternatively, what other formats does Spartan support? 

----------------------------------------------------------------------

Comment By: Nick Greeves (ngreeves84)
Date: 2004-08-12 12:29

Message:
Logged In: YES 
user_id=941641

The files are in the format used by Spartan. I can download and view 
both (in Spartan)
They are not plain text files. Spartan can export in a few other formats 
would these be better?

----------------------------------------------------------------------

Comment By: Egon Willighagen (egonw)
Date: 2004-08-09 10:12

Message:
Logged In: YES 
user_id=25678

Are these text files? I cannot seem to open them with a text 
editor. I even cannot download the butediene file. 

----------------------------------------------------------------------

You can respond by visiting: 
https://sourceforge.net/tracker/?func=detail&atid=379136&aid=995596&group_id=23629


-------------------------------------------------------
SF.Net email is sponsored by Shop4tech.com-Lowest price on Blank Media
100pk Sonic DVD-R 4x for only $29 -100pk Sonic DVD+R for only $33
Save 50% off Retail on Ink & Toner - Free Shipping and Free Gift.
http://www.shop4tech.com/z/Inkjet_Cartridges/9_108_r285
_______________________________________________
Jmol-developers mailing list
[EMAIL PROTECTED]
https://lists.sourceforge.net/lists/listinfo/jmol-developers

Reply via email to