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Fri, 23 June 2023 20:02

padster
Messages: 5
Registered: June 2023

Junior Member

Sure thing, attached are four .dwar files with one structure each for one cycle and the .rxn file:

I'm not sure how to provide a macro to be honest

Attachment: Cycle1.dwar
(Size: 2.52KB, Downloaded 318 times)
Attachment: Cycle2.dwar
(Size: 2.50KB, Downloaded 309 times)
Attachment: Cycle3.dwar
(Size: 2.50KB, Downloaded 305 times)
Attachment: Cycle4.dwar
(Size: 2.50KB, Downloaded 289 times)
Attachment: 4 macrocycle disulphide.rxn
(Size: 12.22KB, Downloaded 310 times)

[Updated on: Fri, 23 June 2023 20:22]

		Pentavalent carbonyl issue (urea formation?) By: padster on Thu, 22 June 2023 21:14
		Re: Pentavalent carbonyl issue (urea formation?) By: thomas on Fri, 23 June 2023 09:26
		Re: Pentavalent carbonyl issue (urea formation?) By: padster on Fri, 23 June 2023 20:02
		Re: Pentavalent carbonyl issue (urea formation?) By: padster on Fri, 23 June 2023 20:27
		Re: Pentavalent carbonyl issue (urea formation?) By: thomas on Sat, 24 June 2023 16:53
		Re: Pentavalent carbonyl issue (urea formation?) By: padster on Sat, 24 June 2023 23:45
		Re: Pentavalent carbonyl issue (urea formation?) By: thomas on Sun, 25 June 2023 13:31
		Re: Pentavalent carbonyl issue (urea formation?) By: padster on Sun, 25 June 2023 20:56

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