MarvinSpace Applet does not accept SMILES string directly?

Hi all:

I'm using the latest MarvinSpace applet (5.3.1) to display 2D/3D molecular structure, the 2D works well with the following js code:

mview_param("mol", "C[N+]1=CN(CCCC)C=C1.O=S([O-])(C(F)(F)F)=O");

However, I failed to make it working on the mavrin space plugin:

mspace_param("molecule","C[N+]1=CN(CCCC)C=C1.O=S([O-])(C(F)(F)F)=O");

I only see the screen swithing between black and gray background with mouse over/click.

 

When I save the SMILES string as mol file, and call it like this:

mspace_param("molecule","D:/test.mol");

Things works like a charm.

 

The reason is that I only save the SMILES string into database, and it makes no sense to save it as an individual file for 3D display.

Any thoughts? appreciated.

hello, any thoughts?

Hello,

Your enquiry is still being processed, please be assured that you receive a response later today. 

Thank you for your understanding, and please accept our apologies for any inconvenience this problem might cause.

Regards

Miklos

I confirm that "mol" parameter can process URL and local file paths only, it cannot directly take a SMILES or any other molecule string.

We will implement this feature and make it available in the next release.

You'll be informed when it is ready for download.

 

Hope this helps.

Miklos

mvargyas wrote:

We will implement this feature and make it available in the next release.

Thank you for the reply, is it 5.3.2 or 5.3.3 ? What is the expected date of that release?

Hi,

5.3.2 is going to be released in couple of days, so definitely no in that. Since it is a feature, I guess Miklos referred to version 5.4.

Best regards,

Akos

Hello, is there anything new about this feature?

Hi,

This feature is still planned to be implemented in version 5.4, which is scheduled to be released in October.

Best regards,

Akos

Thanks for the information, I'm looking forward to that.

Dear sir:

Did you add this new feature in version 5.4.0?

I haven't found it in the change list below:

http://www.chemaxon.com/marvin/help/developer/changes.htmlLet me know if I miss something, thanks.

Dear Sir, 

I'm afraid we did not manage to work on that, we had to improve the stability and platform independence of MarvinSpace first. This task is rescheduled to 5.4.2.

 

Regards

Miklos

Okay, I can wait for that, what is the expected date for that release?

Hi,

5.4.2 will probably come in February, 2011.

Best regards,

Akos