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Re: V3000 input [message #17 is a reply to message #16]

Mon, 27 October 2014 16:00

bruno.b
Messages: 13
Registered: October 2014
Location: Germaniy

Junior Member

Hi Thomas,

according to the Symyx June 2010 documentation, the atom index can be any strictly positive number.

"Identifies atoms. The actual value of the index does not
matter as long as each index is unique to each atom. "

For the bonds:

"The actual value of the index does not matter as
long as all are unique."

I did not find comment about the order of the atom indices in the Symyx document.

Regards,

Bruno

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[Message index]

		V3000 input By: bruno.b on Fri, 24 October 2014 09:54
		Re: V3000 input By: thomas on Sun, 26 October 2014 01:10
		Re: V3000 input By: bruno.b on Mon, 27 October 2014 16:00
		Re: V3000 input By: thomas on Wed, 05 November 2014 16:46

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