[Chimera-users] any aid for dock3.5 score?
meng at cgl.ucsf.edu
Wed May 6 17:20:26 PDT 2009
If by "the grid" you mean the potential map from DelPhi:
If you have the academic version of DelPhi from the Honig Lab, you
can run it with the Chimera tool DelPhiController (under Tools...
This allows entering all the DelPhi run parameters and input/output
filenames into a GUI instead of the text files needed to run DelPhi
"manually." However, it does not help you make sure parameters are
correctly assigned; you are still responsible for figuring out which
DelPhi charge and radius files (also from the Honig lab) to use and
making sure the atoms in your structure are named correctly to match
with the parameters in these files.
Also, DelPhiController is one of our older tools and may not be very
easy to use.
Elaine C. Meng, Ph.D. meng at cgl.ucsf.edu
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco
On May 6, 2009, at 10:14 AM, Francesco Pietra wrote:
> I am considering to use dock3.5 score in DOCK6.2, which makes use of
> Delphi. Is any aid in chimera for builing the grid?
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