[RMCProfile-users] Using Atomeye

[Igram, Dale]

Hi Rob and Martin,


Thank you for your valuable suggestions and comments.   This information will be very helpful.


Sincerely,

Dale Igram

________________________________
From: rmcprofile-users <rmcprofile-users-bounces at rmcprofile.org> on behalf of Martin Dove <martin.dove at qmul.ac.uk>
Sent: Thursday, May 18, 2017 10:31:03 AM
To: rmcprofile-users at rmcprofile.org
Subject: Re: [RMCProfile-users] Using Atomeye

BTW Dale, apparently both Materials Science and Chemistry departments in your university have department licenses for CrystalMaker, so you don’t need to go looking for free alternatives.

For our community, the next version of CrystalMaker (due for release very soon) will have a lot of features pertinent to our community, including at a trivial level the ability to read and create rmc6f files, but also optimisation for the sorts of files and analysis we like to do. We have a great opportunity to make CrystalMaker well aligned with what we need. The roadmap for CrystalMaker will give us even more features of value.

It is also worth noting that many people who go looking for free software are completely unaware that their department or university already have a site license for CrystalMaker. It is worth asking, and if no-one knows in your establishment you can directly mail CrystalMaker and they will happily tell you. Site licenses are really quite cheap if it turns out your campus doesn’t have one.

Best wishes

Martin

> On 18 May 2017, at 14:54, Igram, Dale <di994313 at ohio.edu> wrote:
>
> Dear Matt,
>
>
> Thank you for the quick and informative reply.  At the moment I am able to use atomeye to visualize my configurations.
>
> If I run into any problems I will let you know.
>
>
> Thank you again for your time and support.
>
>
> Sincerely,
>
> Dale Igram
>
> ________________________________
> From: rmcprofile-users <rmcprofile-users-bounces at rmcprofile.org> on behalf of Tucker, Matthew G. <tuckermg at ornl.gov>
> Sent: Thursday, May 18, 2017 8:09:07 AM
> To: rmcprofile-users at rmcprofile.org
> Subject: Re: [RMCProfile-users] Using Atomeye
>
> Dear Dale,
>
> The figure on page 4 in exercise 2 was actually made with a program called CrystalMaker. Since this is a commercial program we do not distribute this but instead the freely available program atomeye.
>
> At present I do not think atomeye can produce polyhedral plots but it does produce nice ball and stick plots and can measure bond distances and angle. This makes it a very useful tool to check things are running correctly.
>
> Are you managing to get atomeye to load the configurations and visualize them? If so you can get more details on the program and the latest version at http://li.mit.edu/Archive/Graphics/A/ .
>
> If you are not able to produce plots at all. Let us know and we can look into this more.
>
> Best wishes,
> Matt
>
> On 5/17/17, 3:55 PM, "rmcprofile-users on behalf of Igram, Dale" <rmcprofile-users-bounces at rmcprofile.org on behalf of di994313 at ohio.edu> wrote:
>
>    Hi All,
>
>
>    I am trying to use Atomeye to recreate the figure of a disordered molecular crystal, SF6 as shown on page 4 in Exercise 2 of the tutorials, but with no success.
>
>    Does anyone know how this figure was created using Atomeye?
>
>
>    Thank you.
>
>
>    Sincerely,
>
>    Dale Igram
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