Multithreading molconvert / cxcalc

User b4f15198ac

05-08-2015 20:53:08

Hello,


I am using batch scripts I have written in the shell to convert thousands of structures at a time using the CLI.  I noticed however, that JChem bin commands never utilize more than one processor (usually maxing out that one processor). Is there a simple way to have these conversions utilize all 4 of my available cores?


Aiden Aceves

ChemAxon abe887c64e

06-08-2015 08:44:12

Hello Aiden,


Unfortunately, JChem command line tools cannot be run in multi thread mode. Here you find a summary about their usage.


Best regards,


Krisztina

User b4f15198ac

07-08-2015 23:22:24

Thank you for your reply. Is this something I could solve by use of the JChem API?

ChemAxon abe887c64e

10-08-2015 07:02:55

Hi Aiden,


From API, you can use the setThreadCount method of MolConverter, or the setThreadCount method of MolImporter and MolExporter.


Best regards,


Krisztina