AMBER Archive (2004)

Subject: Re: AMBER: Atom Labels

From: David A. Case (case_at_scripps.edu)
Date: Tue Jun 29 2004 - 15:54:37 CDT

On Tue, Jun 29, 2004, Karl N. Kirschner wrote:

> use. Is there a way to print out the atom type using
> characters instead of numbers (rdparm, carnal, ptraj)?

If you can (re-)build the system in LEaP, you can use the saveOff command,
which will give you the information you need. In principle, you could also
use the saveMol2 command, except nobody has writen that yet. :-(

...good luck....dac

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