Firefly and PC GAMESS-related discussion club


 
Learn how to ask questions correctly  
 
 
We are NATO-free zone
 



Is there a script or any package to extract valuable data from Firefly output file??

Siddheshwar Chopra
sidhusai@gmail.com


Dear All,
Please pardon me for asking this question. From the time I have started learning Firefly, I have always been on the lookout of a script or a package which would straightaway extract all the valuable data from single or a large number of firefly output files and save it as a excel file. And may be it could plot the graphs needed too.
It becomes really difficult and confusing to extract all the data needed, especially if we have a large number of samples. I have used software like Mask to do little bit of such work, but I found it buggy. Is there any script available which we (non-programmers) could easily manipulate according to our needs?
Any suggestions would be welcomed.
If there is one available, then I would be glad to contribute to its development in the best of my capability.

Regards,


[ Previous ] [ Next ] [ Index ]           Sat Mar 22 '14 9:37am
[ Reply ] [ Edit ] [ Delete ]           This message read 897 times