Subject: Re: CCL:force field assignement: TINKER

From: Martin Saturka <[email-masked]>
Date: Tue, 28 Dec 1999 03:53:14 +0100 (CET)

On Fri, 17 Dec 1999, Fdo Danilo Gonzalez Nilo wrote:

> 
> Hi all!
> 
> 	I am looking for a program or function for assigning the atom type
> within the .xyz(tinker) file from mm3.prm or another force field of
> TINKER ( organic molecules)
> the PDBXYZ program leaves the atom type as zero.
> 

you can use babel, it can add hydrogens too. it will produce file in mm3
format, so you must transform it into tinker's xyz format. i recommend
that you check assigned numbers.

 martin saturka