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forlilab / Ringtail

Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
GNU Lesser General Public License v2.1
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Filters -mfpc -ifpc do not pass any ligands #30

Closed LeThucMinhChau closed 6 months ago

LeThucMinhChau commented 11 months ago

Hi Althea and team,

I used -mfpc and -ifpc with the last version of Ringtail (v1.0.0), I was able to apply both filters with warning that the interaction filter would be applied first and then morgan fingerprint (I remembered). However, recently, I tried to used them again but those filters does not work, as when I entered the filters there is no results return.

image image

Here, usually if there is a result pass through the screen will provide the number of ligands passed the filter, here's not. Even, when I open the database, I cannot find the bookmark.

Can I have your help upon this point? Thank you very much!

maylinnp commented 6 months ago

I believe this issue has been fixed in ringtail 2.0.0 (see comment on issue provided by matt)