CCL:G: G98: Script

 Sent to CCL by: Karol Langner [karol.langner---kn.pl]
 On Saturday 13 of January 2007 11:29, soumya s
 soumya_samineni%x%rediffmail.com wrote:
 > Sent to CCL by: "soumya  s" [soumya_samineni.|a|.rediffmail.com]
 > Dear all..
 > Does some one have a small program or script to pull out the final geometry
 > from the .log file (output of optimisation file). thanx in advance
 > soumya
 >
 You might like to look cclib:
 http://cclib.sourceforge.net
 It can extract coordiantes from your g98 files, and many more things. Note
 that this is only a Python interface. If you want a graphical program, you
 might want to try out GaussSum or PyMOlyze (both based on cclib):
 http://gausssum.sourceforge.net/
 http://pymolyze.sourceforge.net/
 Cheers,
 Karol
 --
 written by Karol Langner
 Sat Jan 13 17:10:50 CET 2007