Can you please send me the receptor and ligand PDB files as well? Perhaps we can cobble together something.

Conrad

On 2/7/13 1:13 AM, Sebastian Mock wrote:

Hi,

I am using Patchdock Algorithm to dock two Enzymes.

I get the pdb's and can load them into Chimera without having problems.

Because Patchdock only performs a jigsaw puzzle with the two molecules,
I have to look at all the solutions it gave me and judge them by some
criteria.
This is very time consuming, as I have to match every single solution
with the appropriate molecules in chimera and I get tons of solutions.
I found the following two lists with imo coordinates of the dockings. Is
it possible to load these into Chimera or at least to enter the
coordinates, so that chimera moves the
docking partner and I can just look at it and discard or accept?

These are the example lists
http://bioinfo3d.cs.tau.ac.il/PatchDock/runs/1_Hexokinase_combined.pdb_2_G6PIsomerase_combined.pdb_37_58_16_6_1_113/trans.txt
http://bioinfo3d.cs.tau.ac.il/PatchDock/runs/1_Hexokinase_combined.pdb_2_G6PIsomerase_combined.pdb_37_58_16_6_1_113/docking.res

Thanks in advance
Sebastian

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