[gmx-users] change residue name

[xiaobing tian]

Hi, GMX users:

I am trying to simulate a DNA/drug system using the
gromacs force file. I use 's/ A /DADE/' my.pdb >
new.pdb    and so on to change residue name. However,
it change both A residue and Chain ID A to DADE ( see
attached file). I can manually edit the pdb file. But
I wonder if there is a  automated way to do it.

Thank you very much.


Xiaobin bing


ATOM      2  C5*   CDADE  1      20.117  33.501 
24.405  1.00 30.03      166D  79
ATOM      3  C4*   CDADE  1      20.477  32.046 
24.510  1.00 28.17      166D  80
ATOM      4  O4*   CDADE  1      19.425  31.143 
24.946  1.00 25.57      166D  81


=====
Xiaobing Tian  Ph.D.
Department of Microbiology and Immunology
Thomas Jefferson University
1025 Walnut St., Suite 420
Philadelphia,  PA19107
Phone: 215-955-1364 (Lab)


	
		
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