[chimera-dev] [Chimera-users] Energy Minimisation Citation

[Konrad Hinsen]

On 28 Mar, 2011, at 5:26 , Nancy wrote:

> I used the "Minimize Structure" feature of Chimera to minimize several ligand molecules in preparation for docking (with the "Gasteiger" charges option).  I need to cite this in an article that I am to submit for publication, and I need a bibliography of the software, including a description of the minimisation algorithm, force field, etc...  Please let me know how I should go about this?

The minimization code used by Chimera comes from MMTK, whose reference is this paper:

	http://dirac.cnrs-orleans.fr/plone/publications/all-publications/H_2000_2

The force field is some dialect of Amber, though I don't know which one exactly is used by Chimera. I hope someone else can provide that information.

Konrad.
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Konrad Hinsen
Centre de Biophysique Moléculaire, CNRS Orléans
Synchrotron Soleil - Division Expériences
Saint Aubin - BP 48
91192 Gif sur Yvette Cedex, France
Tel. +33-1 69 35 97 15
E-Mail: research AT khinsen DOT fastmail DOT net
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