[gmx-users] Superpositioning small molecules

[Anton Feenstra]

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

g_confrms can do that. It is part of the Gromacs package that you can
get for free at www.gromacs.org. It only reads .pdb files, though (and
some Gromacs specific formats).


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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