AMBER Archive (2001)

Subject: Re: odd display of ambpdb generated files

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Tue Apr 17 2001 - 10:42:26 CDT

        Since Insight relabels and reorders the atoms to conform to
        its interpretation of V2.0 of the PDB format specs whether
        you want it to or not, I tend to avoid mixing amber and
        insight for anything unless I am forced.
        
Leap should be able to read Insight pdb's ok, and it might
even be able to translate an ambpdb file into something
that Insight would read properly:

> x = loadpdb ambpdb.pdb
> savepdb x insight.pdb

Leap can rearrange the molecules, tho if the prmtop was generated
by leap, this may be unlikely.

Bill Ross