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Re: V3000 input [message #16 is a reply to message #14]

Sun, 26 October 2014 01:10

thomas
Messages: 742
Registered: June 2014

Senior Member

After a quick check it seems that in a V3 molfile atoms have to be in order, which they are not.
In any case DataWarrior should throw a reasonable error message, or should be kind enough to accept
atoms in any order. I will check and let you know.

Thanks for the question and kind regards, Thomas

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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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