Re: [AMBER] Antechamber/acpype for ligand parametrization and usage of yasara autosmiles

From: David A Case <>
Date: Sun, 12 Apr 2020 08:49:59 -0400

On Sat, Apr 11, 2020, Prasanth G, Research Scholar wrote:

>We can save the pdb file from yasara scene files, that the server gives as
>results. I am not sure on, how to convert this file into a meaningful mol2
>file, such that acpype or antechamber can process it further.

A pdb file is all that antechamber needs, but it must have all
hydrogens. See the instructions or tutorials for antechamber if you've
not done this before. I'm not familiar with acpype, but you shouldn't
need that here.


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Received on Sun Apr 12 2020 - 06:00:04 PDT
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