[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 |
| |---- | De Boelelaan 1083 - 1081 HV Amsterdam - The Netherlands |
| |---- | Tel: +31 20 44 47608 - Fax: +31 20 44 47610 |
| ' __ | Feenstra at chem.vu.nl - http://www.chem.vu.nl/afdelingen/FAR|
| / \ |-----------------------------------------------------------|
| ( ) | Dept. of Biophysical Chemistry - University of Groningen |
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| __ | Tel +31 50 363 4327 - Fax +31 50 363 4800 |
| / \ | K.A.Feenstra at chem.rug.nl - http://md.chem.rug.nl/~anton |
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