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Topic: 3D Chemical Structures  (Read 2090 times)

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Offline Mitch

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3D Chemical Structures
« on: August 04, 2016, 01:45:05 PM »
It's been awhile since I needed to do this, but the need to make 3D chemical structures has come up at work. What is your favorite software to make sexy molecules?
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Offline AWK

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Re: 3D Chemical Structures
« Reply #1 on: August 04, 2016, 02:01:46 PM »
Mainly I use Mercury (free version). This program is also used for viewing CDS CSD database.
« Last Edit: August 04, 2016, 02:50:13 PM by AWK »
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Offline Mitch

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Re: 3D Chemical Structures
« Reply #2 on: August 04, 2016, 03:17:30 PM »
Mercury isn't that intuitive to use, but finally got it up and running and seems to do what I want. Anyone have any other suggestions?
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Offline AWK

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Re: 3D Chemical Structures
« Reply #3 on: August 04, 2016, 03:41:00 PM »
ORTEP is not intuitive for sure. I start using it in late seventies shortly befor PC era. It was a horror to prepare stereo drawings. By the way, ORTEP was written in 1965 by Carroll K. Johnson (ORNL) and is included in Mercury.
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Offline Enthalpy

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Re: 3D Chemical Structures
« Reply #4 on: August 05, 2016, 02:28:07 PM »
Describe atoms and bonds, let optimize the molecule's shape, and display stick / ball-and-stick / space filling?
Then ArgusLab runs on Windows, is easy to install, decently simple to learn, and has a full Graphical User Inteface as we're used to now.
http://www.arguslab.com/arguslab.com/ArgusLab.html

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