MrvConverter

#1

 

Dear all,

I need to use MrvConverter convert Smiles structure to Marvin.

I have hundreds of thousands data.

However, MrvConverter complains about 

ERROR MrvConverter Execute failed: ("ArrayIndexOutOfBoundsException"): 4

 

Any ideas?

 

Thanks,

mindy

0 Likes

#2

Dear mindy,

What version of the JChem Extensions do you use?
I guess that your smiles might contain data that Marvin can not support.
The current version of JChem Extensions skip such a data to keep executing the processing.
Please refer to the following site for the updating method.

http://www.infocom.co.jp/bio/develop/jchemextension_update_en.html

Best regards,
Taka

 

0 Likes

#3

I use version of the JChem Extensions is v2.1.2.

By the way,I divided data into a small group , and it can run no error messenger.

Thanks,

mindy

0 Likes