ADL: virtual screening

horse16031603 at yahoo.co.jp horse16031603 at yahoo.co.jp
Sat Sep 26 00:00:38 PDT 2020


Hi honorable AutoDockers:
I have done a virtual screening successfully as in the attached my paper (VSDK.pdf).However, in this way, I had to save a ZINC PDBQT small molecule, individually, that is, one by one, whichtakes a lot of time.  So, I downloaded 9783 ZINC 3D PDBQT molecules all at once as one file and didvirtual screening by the same way in my paper. But this time the errors showed up,  It seems that the Bash script seems to be modified. If anyone knows how to modify the Bash file in the paper, I appreciate it very much.  
Thank you very much for your help in advance.Eiiichi
-------------- next part --------------
A non-text attachment was scrubbed...
Name: VSDK.pdf
Type: application/pdf
Size: 122895 bytes
Desc: not available
URL: <http://mgldev.scripps.edu/pipermail/autodock/attachments/20200926/e9a18bdd/attachment-0001.pdf>


More information about the autodock mailing list