VMD-L Mailing List

From: Ashar Malik (asharjm_at_gmail.com)
Date: Tue Jul 21 2015 - 02:33:02 CDT

To start you off, make a list of all the pdb. Read them into a tcl script.
Run a for loop for the number of pdb files you have and in each loop use
the psfgen package.

Try it. If you are still stuck .. Drop another email.
On Jul 21, 2015 12:19 PM, "Akshay Bhatnagar" <akshaybhatnagar2790_at_gmail.com>
wrote:

> Hello everyone
>
> I have around 5000 proteins and i want to generate 5000 psf and
> subsequently generated pdb files for all these 5000 proteins in one shot. I
> have always use automatic psf generate method to generate psf. Now please
> anyone help in generating a tcl script through which i can generate all the
> 5000 psf and pdb files in one go using the script.
>
>
> With Regards
> Akshay Bhatnagar
> PhD Student
> BITS Pilani Hyderabad Campus
>
>