[gmx-users] best way to create a pdb file.

K.A. Feenstra Feenstra at chem.vu.nl
Mon Sep 30 08:21:08 CEST 2002


Senthil Kandasamy wrote:
> 
> What is the easiest way to accomplish the following?
> 
> I have a pdb file of a lipid bilayer. I need to insert a protein bundle
> into this bilayer. I have the pdb coordinates of the protein bundle
> also. Now, I edit the lipid pdb file to create a hole (that would
> approximately fit my bundle) at the center. Both the bundle and the
> lipids are centered using editconf. Upto this point, I have two pdb
> files. Now, what is the easiest way to create a single pdb file of this
> structure (That would essentially have the bundle inserted into the
> lipid layer)
> 
> I have to go through a lot of manual manipulations to be able to do that
> at this point. IS there an easier way to accomplish this?

Any simple text-editor (emacs, jot, notepad, even vi!) can do this.
Or even simpler 'cat protein.pdb bilayer.pdb > system.pdb' will do it...

-- 
Groetjes,

Anton
 ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Vrije Universiteit Amsterdam |
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