[gmx-users] pdb generator

[Victor Rosas Garcia]

Hello Momin

The best tool I have found for dealing with cif files, including exporting
to pdb, is Mercury.  You can download it for free from:
https://www.ccdc.cam.ac.uk/Community/csd-community/freemercury/

Hope this helps

Victor

El mar., 13 nov. 2018 a las 8:04, Momin Ahmad (<momin.ahmad at kit.edu>)
escribió:

> Hi,
>
> is there a tool where i can use for example a .cif file (or .xyz) file
> to generate a .pdb file with correct classification? For example
> Avogadro classifies all atoms as LIG and i cannot change it. Is there
> also another tool which can be used to generate large scale crystal
> structures with building blocks as input?
>
>
> Cheers
>
> Momin
>
> --
> Momin Ahmad
>
> Karlsruhe Institute of Technology (KIT)
> Steinbuch Centre for Computing (SCC)
> Hermann-von-Helmholtz-Platz 1
> 76344 Eggenstein-Leopoldshafen
> Phone: +49 721 608-24286
> E-Mail: Momin.Ahmad at kit.edu
>
> --
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