The site can't do that yet.
The simplest thing to do would be to find a structure for the molecule
somewhere, then change the names of the residues - and atoms as needed
- so that they can be processed by leap using the glycam force field.
Here is a structure containing beta-cyclodextrin:
https://www.rcsb.org/structure/1g1y
Let me know if you need help proceeding from there.
On Fri, Feb 14, 2020 at 3:41 PM Marcelo Andrade Chagas
<andrade.mchagas.gmail.com> wrote:
>
> Dear AMBER developers
>
> How to get topology for alfa-cyclodextrin, beta-cyclodextrin and
> gama-cyclodextrin.
>
> I tried Glicam-web for β-cyclodextrin <https://www.rcsb.org/ligand/BCD>. But
> he reported the following message:
>
> *GLYCAM-Web has detected that you wish to build a system containing a
> cycle. We are sorry, but at this time we cannot process such requests. If
> you would like, contact us about this.*
>
> Best regards,
>
> Dr. Marcelo Andrade Chagas,
> http://lattes.cnpq.br/7024808363863350
> *eCsMo**Lab**: Laboratório de Estudos Computacionais em Sistemas
> Moleculares*
> Laboratório de Química Computacional e Modelagem Molecular - LQC-MM
> * http://lqcmm.qui.ufmg.br/
>
> Departamento de Química, ICEx, Universidade Federal de Minas Gerais
>
> 31270-901, Pampulha, Belo Horizonte, MG, Brazil.
> Tel:(31)3409-5776
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
--
:-) Lachele
Lachele Foley
CCRC/UGA
Athens, GA USA
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Received on Fri Feb 14 2020 - 16:30:03 PST
