I am using PyRx as platform when I load macromolecule and ligand, the molecules get loaded. When I Dock I get this message ">Python 2.6.5 (r265:79096, Mar 19 2010, 21:48:26)"
Can anyone help me in resolving this issue
Again prepare macromolecule. Something miss Or error in macromolecule preparation
You may want to try this. Fetch a new version of PyRx. Uninstall the old and reinstall with the new. Again, you can also try it on a different system. See these links too for similar complaints.
https://sourceforge.net/p/pyrx/tickets/56/
https://sourceforge.net/p/pyrx/tickets/28/
You may also want to contact the owner of PyRx https://www.researchgate.net/profile/Sargis-Dallakyan
Regards,
Egbuna
Did you select any grid??
In PyRx grids are to be selected manually by moving the grid box after highlighting the active site amino acids.
Usually Grid issues not really occur. If so, you can follow Chukwuebuka Egbuna and try.
First of all check your macromolecule maybe you miss a step in optimization and energy minimization.
2nd use grid box @ 60,60,60. because the macromolecule is more flexible 60,60 grid.
And make sure you use the correct active site of your known protein.
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