ADL: Question

Shradha Chopra Phd2009,BIC shradha at nii.ac.in
Mon Sep 27 22:15:09 PDT 2010


Hi,

Autodock is meant for protein small molecule docking. The number of torsion
to be made flexible in Autodock is limited to 32. You can increase in by
modifying the constant.h file (details available at
http://mgldev.scripps.edu/pipermail/autodock/2009-January/004969.html). But
increasing no. of torsions beyond 64 will exponentially increase the
computing time.

Best Regards,

Shradha Chopra
JRF
BIC Lab
National Institute of Immunology


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