pyrex hanged during coversion from sdf to pdbqt

[uzma]

Hi all,

I wanted to run a virtual screening using Maybridhe library using Pyrex.
For the same, I was first trying to conert the library of sdf compounds to pdbqt as suggested in the tutorial.
However, after reaching the 5943th compound , the Pyrex has been hanging for past 12 hours and not going to the next compound. Now, when I even tried cancelling the conversion, it is still stuck and not going anywhere.

Plz help ??


Thanks

Uzma

[sargis]

Hi Uzma,

Thank you for the message. Please try converting 5943th compound only and see if you get any error message. If not, please let us know how to reproduce this.

Thanks