Re: [AMBER] AMBER Unique atom types

From: David A Case <case.biomaps.rutgers.edu>
Date: Sat, 22 Nov 2014 21:28:26 -0500

On Sat, Nov 22, 2014, Brittany Boykin wrote:
>
> Using AMBER tutorial A1, section 2 uses the software Sirius to build
> unique atom types for there molecule FAM5 to create a library file
> running through LEAP, unfortunately I can not seem to download this
> program. Does anyone know where I can download this software, and if
> not, do you know of any other software that I can download for free to
> determine unique atom types for a molecule? I tried using Chimera,
> GaussView, and ViewerLite and they did not do the trick.

We need to update this, since (as you note) Sirius appears to be defunct.
You can use the methods in tutorial B4 to assign atom types. I think you can
mostly skip section 2 for now.

...thanks for the report....dac


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Received on Sat Nov 22 2014 - 18:30:04 PST
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