[Chimera-users] Batch energy minimisation

[Miro Moman]

Hello,

Searching through the archives, I have found that performing DockPrep in 
batch mode is quite straightforward:

http://mailman.docking.org/pipermail/dock-fans/2007-May/001043.html

I have also noticed that, when working from the GUI, energy minimisation 
involves a previous DockPrep step.

I would like to perform the energy minimisation of several 
protein-ligand complexes, can this be easily done in batch mode?

Furthermore, I would also be interested of computing the binding energy 
both prior and after minimisation (possibly including APBS-computed 
electrostatic terms...). However, this is of secondary importance as it 
can be easily achieved with other tools.

Best regards,

Miro Moman