Hi everyone,

I am trying to get deeper into chimera and to develop a "simple" algorithm for drug optimization. Something flying in my mind for a while...

First though, I need to understand how to manipulate atom coordinates, bond angle and the general building. I went to the index of the chimera modules. My first objective is to generate a molecule from scratch and I thought that the molEdit module would provide me with the right tools to do so.

However, when trying to call this module by a chimera.molEdit.XXXX type of command, it seems that molEdit is not a correct object.

Could you give me some pointers on the correct way to generate small ligand or how to add groups to a given one?

Sorry for my thousands of questions..

JD

Dr. Jean-Didier Maréchal
Professor Lector
Unitat de Química Física
Departament de Química
Universitat Autònoma de Barcelona
Edifici C.n.
08193 Cerdanyola (Barcelona)
Tel: +34.935814936
e-mail: JeanDidier.Marechal@uab.es