ligMol error with sdf

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ligMol error with sdf

Postby suat.sari » Mon Mar 11, 2013 8:12 am

When i dock a pdb format ligand, pyrx runs autodock without any problem. but when perform the same docking with the same protein and the same parameters but using a sdf file with openbabel downloaded from pubchem or ZINC, i run into the error: "Docking instance has no attribute 'ligMol'".

how can i solve this issue? Thank you for your care.
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Re: ligMol error with sdf

Postby sargis » Thu Oct 17, 2013 11:14 pm

Thank you for the message. I have recently fixed an issue that was causing problems when dealing with ligands with long file names - https://sourceforge.net/p/pyrx/code/154

If you are using pyrx version 0.9 you can use PyRx > Help > Check for Updates... menu to apply this update. I have tested this on Windows and expect it to work for Linux as well.

Thank you for using PyRx!
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