How to: Display specific contacts in Mercury

CCDCCambridge
CCDCCambridge
244 بار بازدید - 3 ماه پیش - In this video, you can
In this video, you can find out how to create short contacts between specific atoms or specific groups of atoms in Mercury. We will also make use of the Multiple structures feature to compare short contacts in closely related molecules.

In this video:
-00:04 Introduction to short contacts in Mercury
-00:38 Loading a structure in Mercury, adding labels and displaying non-specific short contacts
-01:10 Defining a specific short contact between two different atoms
-02:38 Displaying specific short contacts
-03:10 Enabling Multiple Structure and loading a second structure
-03:38 Defining contacts between specific groups of atoms
-04:07 Displaying and comparing contacts in different molecules

You can grow your skills with using Mercury for visualizing structures using the free CSDU module “Visualization 101 – Visualizing structural chemistry data with Mercury” here: https://www.ccdc.cam.ac.uk/community/...

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3 ماه پیش در تاریخ 1403/03/09 منتشر شده است.
244 بـار بازدید شده
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