[gmx-users] Superpositioning small molecules

[dastmalchi.s at tbzmed.ac.ir]

Dear Anton,

I think that would be very useful.

Cheers, Siavoush

> dastmalchi.s at tbzmed.ac.ir wrote:
>
>> Hi,
>> Does any one know of the free program(s) to read in the small
>> molecules, preferably in mol2 of HIN formats, superimose them on the
>> target molecule (using the selected atoms) and write out the new
>> coordinates of the superimposed molecule in a file.
>> Cheers, Siavoush
>
> Talking about file formats, would people be interested in mol2 reading
> and/or writing capabilities in Gromacs?
>
>
> --
> Groetjes,
>
> Anton
>   _____________ _______________________________________________________
> |             |                                                       |
> |  _   _  ___,| K. Anton Feenstra                                     |
> | / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
> |(   |   )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands   |
> | \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610           |
> |             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
> |             | "If You See Me Getting High, Knock Me Down"           |
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> |_____________|_______________________________________________________|
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