Dear Rajesh

Crystal explorer suite have only one option, so we always need cif file. you need to have tow complete molecules in the display, if not, you need to grow that. It important since we are interested for non-classical interactions between two components in the crystal lattice.

regards

Crystal Explorer supports only Crystallographic Information File (CIF) format .

Once you generated Hirshfeld surface in crystal explorer, its easy to plot the 2D finger print plots from generated Hirshfeld surface.

From 2D finger print plots you will get the  percentage of individual interactions contributed by different atoms...

http://www.sciencedirect.com/science/article/pii/S0022113914000931

The Hirshfeld Surface Calculations are done once CIF is finalized so that inter molecular interactions can be described conveniently. Once you start using it and study the literature of research articles more and more knowledge will be gained.  

here video from youtube:

https://www.youtube.com/watch?v=9leJnjpqdsY

Dear every body

I do corresponding to you tube file and literature.

So, I have problem. I mean is unit cell in mercury software is differ from crystal explorer software.

for example you can see bound in mercury  between two atom but  there is not any bound in crystal explorer software.

In summery;

I should try to obtain the same structure between two software.

How I can change to bound? or How I can add or remove bound in crystal explorer software?

Regards

Dear Payam Hayati,

In Crystal Explorer , click file menu and in it go to preferences.

In this click general menu and open edit elements. In it, set the covalent radii of the two atoms you want to make the bond. You can generate Hirshfeld surfaces with and without this bond and find the difference in intermolecular interactions.

Dear every body

I have a problem when I use crystalexplorer software, for getting  de vs di curve:

This curve is not the same other curve which were published. I do not know why?

I attached my plot and other curve which published before. please find.

I will be glad if you can help me.

Regards

Payam Hayati

Cannot export picture using Crystal Explorer 17. Can finish analysis. But exporting picture is not possible. Can any one help?

Thanks in advance.

I just downloaded the crystal explorer software and I am trying my hands on it. I was able to generate the Hirshfeld surface for some of the cif files that I have tried my hands on , but I am not able to generate the de vs di plots as the little square on the lower right side of the program where I am supposed to click is not always highlighted. So I was wandering if there is something I am not doing right. A clarification on this will be appreciated. Thanks

Dear every body

Could you suggest new software instead of crystal explorer for hirshfeld surface analysis?

Please let me know your ideas.

Regards

Payam

Dear Hayati,

Crystal explorer is the widely used reliable software for hirshfeld surface analysis. It supports only (CIF) format file. Latest version of crystal explorer(17.5)allows to calculate intermolecular interaction energies among the molecular aggregates in crystal packing.

It generates the finger plots can be saved in postscript (.eps) format but surface plots cannot be saved directly. Screen shot is the option for saving surface plots.

You can refer Rahul soman Videos

https://www.youtube.com/watch?v=9leJnjpqdsY

Dear Anil

I have received your email and Watched this video in youtube.

It was useful for me.

Regards

Payam

@ Obinna Chibueze Okpareke , All I did was to generate the hirshfield surface at high (standard resolution) and boom!!! the generate fingerprint plot button was highlighted and ready to be used. On clicking, I got my plots. Hope this works for you.

Regards

Ibukun.

Dear Ibukun

Thank you for your response.

Regards

Payam

Dear Ibukun

If you have new version of this software and send me, We will be grateful.

Regards

Payam

@Payam Hayati

I am currently using crystal explorer 17.5 version. You can download freely by simply typing crystalexplorer 17.5 free download on google. Hope it works for you!

I have downloaded, installed and recieved license also, but not working on my machine ( windows 8.1). At the end of the installtion with asking for license key, the installation finished.

Suggest me what is wrong with it.

Mukesh M. Jotani sir, please suggest me solution of the problem.

For the installation of Crystal Explorer 17.5, Microsoft 8.1 does not work. It demands Microsoft 10 is needed. Also there is bug in the software. You have to get proper graphics card for this.

Sir I have tried even window 10, not work.

I will try to get C. E. 17.5 installed on MS Windows and will convey how to follow the steps. If you have installed it then you have to follow a proper path. You may open C. E. 17.5 from c drive via program files. As I am using Crystal Explorer 3.1 on MS windows 7.But I hope this may be in this way.

Bonjour j'ai installée Crystal Explorer 3.1 sa marche mais après certain temp sa marche pas et j'ai reçus un message et sa marche pas .

Quelqu’un peut m'aider ?

Please send me the question in English.