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Re: Copy and Paste 3D Pose [message #1818 is a reply to message #1817]

Wed, 25 January 2023 12:50

thomas
Messages: 745
Registered: June 2014

Senior Member

Hi Scott,

No, because when DataWarrior reads an SD-file, it creates a memory efficient molecule from that. The original SD-File content is not kept with a DataWarrior document. When reading from a 3D SD-file record, the relative orientation of the atoms is retained with a reasonable accuracy. The absolute position of the molecule is retained as well, but not exactly. Thus, when a new 3D-SD-file is created from the molecule, it will be moved slightly in space, which is typically much less than an Angstrom.

Thomas

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[Message index]

		Copy and Paste 3D Pose By: sbembenek18 on Sun, 08 January 2023 06:59
		Re: Copy and Paste 3D Pose By: nbehrnd on Sun, 08 January 2023 19:25
		Re: Copy and Paste 3D Pose By: sbembenek18 on Tue, 10 January 2023 04:24
		Re: Copy and Paste 3D Pose By: nbehrnd on Tue, 10 January 2023 08:27
		Re: Copy and Paste 3D Pose By: sbembenek18 on Mon, 16 January 2023 00:14
		Re: Copy and Paste 3D Pose By: thomas on Wed, 18 January 2023 16:12
		Re: Copy and Paste 3D Pose By: sbembenek18 on Mon, 23 January 2023 23:41
		Re: Copy and Paste 3D Pose By: thomas on Wed, 25 January 2023 12:50
		Re: Copy and Paste 3D Pose By: nbehrnd on Wed, 25 January 2023 15:59
		Re: Copy and Paste 3D Pose By: sbembenek18 on Thu, 02 February 2023 23:26

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