Re: Coordinate Output in both binary and ASCII. Or converting binary to ASCII in the command line

From: Hugh Martin (hughtendo_at_gmail.com)
Date: Fri Mar 06 2009 - 23:26:30 CST

I was able to overcome this issue using "vmd -dispdev text -e script.vmd" as
suggested, and now my simulations are able to automatically chain as
desired.

Many thanks.

Hugh

2009/3/2 Leandro Martínez <leandromartinez98_at_gmail.com>

>
> It seems that you know already the VMD command syntax, so write the
> sequence of commands to a file (lets call it script.vmd), and run vmd with:
>
> vmd -dispdev text -e script.vmd
>
> This will do all the operations you want in "command line" mode, that
> means, with no graphical interface, and
> then can be scripted and run in background.
>
> For example, this simple script opens a pdb file, sets the B-factors of
> some
> atoms to something different than zero, writes a new pdb file and exits:
>
> mol new protein.pdb type pdb first 0 last -1 step 1 filebonds 1 autobonds
> 1 waitfor all
> set sel [ atomselect top "segname PROT and name CA" ]
> $sel set beta 1
> $all writepdb newfile.pdb
> exit
>
> Leandro.
>
>
>
>

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