My software notes

February 3, 2006

making dimer PSF

Filed under: xplor/xplor-nih/cns — kpwu @ 10:34 pm

got from xplor-NIH discussion mailing list.

two ways to generate dimer PSF:

  1. If you have a PSF file for the monomer, it’s easy to create one for
    the dimer using the “classic”
    xplor interface. Try this:
    struct @monomer.psf end
    vector do (segid = “A”) (all)
    struct @monomer.psf end
    vector do (segid = “B”) (not segid A)
    write struct output = “dimer.psf” end
    (by JK)
  2. In the Python interface, easiest is:
    seq=”’ string containing three character residue names”’import psfGen

    #if you wish to save psf info:
    xplor.command(“write psf output=new.psf end”)
    (by CS)

Leave a Comment »

No comments yet.

RSS feed for comments on this post. TrackBack URI

Leave a Reply

Fill in your details below or click an icon to log in: Logo

You are commenting using your account. Log Out / Change )

Twitter picture

You are commenting using your Twitter account. Log Out / Change )

Facebook photo

You are commenting using your Facebook account. Log Out / Change )

Google+ photo

You are commenting using your Google+ account. Log Out / Change )

Connecting to %s

Create a free website or blog at

%d bloggers like this: