[Users-list] Docking from commandline, Possible ?

Muhammad Ahmed muhammad.ahmed at gmail.com
Thu Nov 29 22:11:48 CET 2007


 Hi,
I am doing research in The university of Reading, UK in the department
of systems engineering,

The question is regarding using GRID docking algoritham from console:

We are interested in using The docking algo of GLUE/GRID in a 3d
virtual reality environment
environment, I have downloaded grid22a, What I have seen is that,

for docking

The user interface available is only GUI and not a command line interface,
Is there any command line versions where we just past parameters(pbb
of receptor and ligand) and get the output of docking in the form of a
file which we may show in VR environment

SO anybody knows if we can do it from just command line
Note I am using Linux,

Thanks and Regards,
Ahmed


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