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From: Frank Fuerst <ffrank@rz.uni-potsdam.de>
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Subject: Re: Need help generating strucural model from atomic coordinates
Date: Tue, 23 Jan 2001 10:34:40 +0100
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aam@MIT.EDU (Angelo Mondragon) wrote:

>I  have a basic question that I hope someone can help me with.  I am not a
>structural biologist but as a result of a collaboration I have  a set of
>atomic coordinate data  for a protein X-ray diffraction structure as a text
>list of ATOM records that look like this:
>
>ATOM     13  O   PRO    22      33.496  19.282  44.876  1.00 54.35      A

This is the pdb (Brookhaven protein database) format for atomic
coordinates. 

>I would like to generate a structural model of this protein using the
>coordinates using the QUANTA software from Molecular Simulations Inc. but I
>have not been able to yet.
>
>Can anyone explain to me how to do this?  I also have access to Insight II
>and Rasmol but I would prefer to use QUANTA to do this.

Just tell Rasmol or Insight that the file contains data in pdb format
- for rasmol on a non-Unix-Computer, you perhaps need to rename the
file to something.pdb. In Insight, you need to check the
"pdb"-Checkbox when "Getting" the molecule.

I'm not familiar with quanta, but it should work similar with that
software.

HTH
Frank




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