MarvinJS slowing down with the number of abbreviated groups

Hi,

 

First happy new year for all of you in Chemaxon!

 

I would like to highlight a trouble I have with MarvinJS. MarvinJS is going slower and slower with the number of abbreviated groups on the molecule(s).

Example (absurd yes, but it is to reproduce the problem) :

1- draw in Marvin Sketch an hexa amino phenyl molecule (phenyl with NH2 functions on each position of the Ph), and copy it in MarvinJS => no problem of speed

2- add in MarvinSketch a "Boc" (or a "Ph") abbreviated group on each amino function. Copy the molecule in MarvinJS => it is a little bit slower

3- add 2 abbreviated groups ("Boc" / "Ph") on each amino (you will have 12 abbreviated groups on your molecule). Copy and try to past it in MArvinJS => in my case I need in between 30s to 1 minute to paste it.

 

Same phenomenon appears when the molecule(s) is drawn in MarvinJS and you want to click on the "zoom" button to adapt the zoom.

What it is strange is that when those abbreviated groups are expanded/ungrouped, the phenomenon disappear.

 

You will say that it will not appear a lot, but in my case it appear when I write (or my users) a multistep reaction scheme with Boc groups on each molecule, or with peptides in which you can have NO2, Ph, Fmoc, Boc abbreviated groups on one single molecules.

 

Cheers, Lionel

Hi Lionel,

Happy New Year!

I tried to reproduce the test case, you mentioned above, but with Marvin JS version 16.1.11.1 it worked well for me.

I think, we would need more detailed specifications to investigate this problem and it would be a great help, if you could answer some questions:

 1. We had experienced an issue like this before, and we fixed it in version 15.6.22. Which version of Marvin JS you use? Could you confirm that this issue still exists in version 15.6.22 or later?

2. The rate of the slow-down can be different depending on the operating systems and also the browsers. Could you give us some information about in which OS and browser you experienced this problem?

3. When you copy the structures from Marvin Sketch, in which format you copy (mrv, mol v2000 or something else)? 

Thank you, in advance, for your answers.

Best regards,
Eszter

Hi Eszter,

To answer your questions:

1. It seems I am on the 15.5.4 version of MarvinJS, so I have to try to change it...

2. The web interface with MarvinJS is on Ubuntu, the experience is made on Windows on Mozilla or Google Chrome

3. To copy in Marvin Sketch, I am doing Ctrl+k and use Mrv format

Best regards,

Lionel

Hi Lionel, 

In this case, I recommend you to update Marvin JS to the latest version, or at least to 15.12.14, because we made another refinements with abbreviated group handling in this version.

For further details, please, check the History of Changes documentation here:
https://docs.chemaxon.com/display/docs/History+of+Changes+-+Marvin+JS

Please, let us know your experiences with this solution.

Thank you again for the additional information.

Best regards, 
Eszter 

I changed the version of MarvinJS, it seems to work far better.

Thanks,

Lionel

Hi Lionel, 

Thank you for the feedback.

I am glad to hear that the update solved the problem.

Have a nice weekend. 

Best regards,
Eszter