Firefly and PC GAMESS-related discussion club

 
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Alex Granovsky
gran@classic.chem.msu.su

Regardless on conversion to Excel, you may find ChemCraft
(http://www.chemcraftprog.com/) useful.

Regards,
Alex Granovsky


On Fri Jan 4 '13 8:38pm, Siddheshwar Chopra wrote
-------------------------------------------------
>Dear Sir,
>As Pavel sir said...open babel is a very handy and easy to use format converter. Sir can you tell me how to edit an executible file. I want to edit a software according to my needs. I wish to make changes so that it displays result of firefly according to my needs. Or do you have a software which reads firefly output file and writes down my desired output data in an excel sheet or so???? Please help.

>Regards,
>
>
>On Fri Jan 4 '13 7:07pm, Solntsev Pasha wrote
>---------------------------------------------
>>Did you try babel convertor?

>>babel -ixyz filename.xyz -oinp filename.inp

>>Pavel.
>>
>>
>>On Fri Jan 4 '13 6:08pm, Karsten wrote
>>--------------------------------------
>>>Hi,

>>>I am a new user of FireFly. Because my registration is not activated as yet, I have neither a manual, nor any examples of input-and output files. Could anybody give a simple input file for ground state optimizations with FireFly?
>>>Thanx (toda raba, sbassibo, whatsoever) in advance!
>>>The reason for this somewhat premature question is, that I have written a simple input format converter for several formats (Mopac, pdb, xyz, mol). I intend to extend it for the FireFly input format prior to using the software.

>>>CU!

>>>karsten
>>>
>>>