Marvin OLE fails if variable attachment and polymer present

Hi, encountered a problem with MarvinOLE in 5.7 when the sketch contains both variable attachment points and a polymer.

To reproduce:

Launch MarvinSketch

Open the attached file (or draw something similar)

Copy as an embedded object into Word

Open the object in marvin ole from word, and make a small change

=> MarvinOLE fails to update the structure and close. If you look in the MarvinOLE logs it seems to fail trying to get the smiles representation of the drawing.

Can reproduce in 5.7.2 every time. Have a feeling I tried it in 5.8 and it was fixed.

Best wishes,

Ahmed

Hi Ahmed,

We have seen such issue with OLE in the near past, it turned out that a change on the mrv file format in 5.8 can ruin a validation in OLE and in this case OLE start to use the smiles representation of the structures that is also stored in the OLEDocument. That could cause the problem.

It should not affect 5.8.2 and above versions, and may affect 5.8.0 and 5.8.1, if you are sure that you encounter with this issue with 5.7.x then could you please send the structure file that causes problem, to further investigate the issue?

Is it possible that you try to open an OLE document that was created by 5.8.x with 5.7.x series of MarvinOLE server? In this case this may be the problem, because the versions before 5.8.0 will fall into the same validation problem.

Regards,
Istvan

Hi Istvan,

We definitely see this using Marvin 5.7.2. The previously attached .mrv file exhibits this behaviour: if you load it into MarvinSketch then copy and paste into Word, then you can't launch MarvinOle from Word, make a change, and save: MarvinOLE hangs when it tries to return control.

If you edit in place from Word then for some reaon it's OK. We use OLE as an integration mechanism with MarvinSketch so you can launch MarvinSketch from our renderer, so it causes problems when it hangs.

I've attached another file with a Variable Attachment point and an R-Group definition that also demonstrates this behaviour.

Is there any info on the file format changes and the types of structure that are likely to exhbit the problem?

 

Thanks,

 

Ahmed

Dear Ahmed,

I would like to inform you that István is on Holiday this week. He will be back on 19 of March and will continue the work on this issue.

Best Regards,

Efi Hoffmann

Hi Ahmed,

you were right, it happens with 5.7.2 but not happens with 5.8, and unfortunatelly or fortunatelly i have confirmed that it is not related to the issue i have mentioned before, and does not affect the inplace editing.

I will consult with the developer of the COM side, and ask him to check if there is a workaround for this in 5.7.2. and what is the exact cause of this failure, because the Java parts I am responsible for seems to work as expected.

Can you upgrade to 5.8 to get rid of this issue, or it is crucial for you to solve this with 5.7.2 if it is possible?

Regards,
Istvan

Hi Ahmed,

it turned out, we do not see any direct cause of this issue neither in the java interface, nor in the OLE code parts. So our suggestion is to upgrade to 5.8.2 or 5.9 version of Marvin.

Regards,
Istvan