.mrv to .mol conversion

User 2f24778469

28-10-2008 15:51:34

Our customers have noticed that .mrv format files don't convert to .mol files properly, specifically the bond thickness. We are using the MView applet in our site, so we can't use the .mrv file format. (Feel free to correct me on that, but from what I got from the applet documentation, it doesn't accept the .mrv format.)





I tested the conversion myself, and confirmed that the bond thickness doesn't make the transition. We're using Marvin 5.0.1.





Any advice? I'll gladly elaborate if needed. Thanks in advance.

ChemAxon 9c0afc9aaf

28-10-2008 16:36:14

Hi,





I have moved the topic to the appropriate forum.





1. The mol format (by definition) cannot store this feature (and many others).





2. The MRV format (and in fact all supported formats) are also supported by the applet.


(If a part of the documentation is easy to misunderstand, you may send us a link to that part)





Best regards,





Szilard

User 2f24778469

28-10-2008 17:44:55

Thanks for the quick reply.





The documentation for the 'mol' parameter gave me the impression that the viewer applet could only read mol, SMARTS, and SMILES formats. It's good to know it supports more than I thought.





The existing code I'm working with uses the javascript:


Code:
mview_param("mol", "*lots of data here*")



to input the structures. Is there a simple way to have it accept whatever format the structure is stored in the database as (mol, mrv)?

ChemAxon 9c0afc9aaf

28-10-2008 18:51:15

Hi,





Thank you for pointing this out, the documentation should certainly be updated.





We automatically accept all formats, no need the do anything.





Please don't forget to use convertForJavaScript(), this converts the structure source to a JS string literal:





http://www.chemaxon.com/marvin/help/developer/beans/api/chemaxon/util/HTMLUtil.html#convertForJavaScript(java.lang.String)





Best regards,





Szilard