[Chimera-users] moving to coordinates

Sebastian Mock basti.mock at gmail.com
Tue Feb 12 06:00:02 PST 2013

Hi again,

we figured it out by ourselves. No need to investigate this further!

Thanks anyway! :-)


2013/2/11 Conrad Huang <conrad at cgl.ucsf.edu>

> 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/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<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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