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From: Bhaskar Jyoti Borah (bhaskar_at_sscu.iisc.ernet.in)
Date: Thu Jul 12 2007 - 01:38:58 CDT
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Dear all,
Suppose I have loaded a molecule and also suppose
there are some non bonded atoms are there in the structue.
Now I have moved one of the nonbonded atoms to a different
location using move-->atom option. Now I have a different
topology of the molecule. Can I export the coordinates of the
changed structure( after movement of the atom) to a .xyz or any
other file? If possible how do I do it. Thanks in advance
Kind regards
Bhaskar
-- ****************************************************** * BHASKAR JYOTI BORAH * * PhD Student * * Indian Institute of Science, * * Bangalore * * Solid State and Structural Chemistry Unit * * Computational & Theoretical Chemistry Group * ****************************************************** -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean.
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