Hello –

 

I would recommend writing a Bash or Python script for this purpose.  Bash is particularly good for this type of thing and very easy to construct.  There are several excellent Bash tutorials online.

 

Good luck!

 

__________________________________________________
Nathan Baker
Chief Scientist for Signature Science
Pacific Northwest National Laboratory

 

From: Yonggang Han [mailto:tangkou2@163.com]
Sent: Monday, July 26, 2010 11:49 PM
To: apbs-users@lists.sourceforge.net
Subject: [Apbs-users] how to do batch processing with APBS on ubuntu

 

HI APBS users,

    I have thousands of pqr files to calculate the energe with APBS on Ubuntu. I hope this is can be done by the Shell Scripts.  how to do batch processing with APBS on ubuntu

Thank you very much!  Any suggestion will be highly appreciated.

Best,
Yonggang Han

 

 


您想拥有和网易免费邮箱一样强大的软件吗?


您想拥有和网易免费邮箱一样强大的软件吗?