Can't select multiple outputs for analysis

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Can't select multiple outputs for analysis

Postby lotus » Tue Sep 08, 2015 6:24 am

Right after completion of Run Vina for screening, we can move on to "Analyze Reults" for the analysis of the results.
For the analysis of a previous outputs (_out.pdbqt's) stored in a folder, I guess we have to load the outputs in using "Insert new item" of "Analyze Results" tab. However, I can't select multiple outputs (_out.pdbqt's).
If I use "Select Molecules" tab, I can select multiple outputs but the number seems to be limited (~100).
I always thank you for your prompt response.
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Re: Can't select multiple outputs for analysis

Postby sargis » Tue Sep 08, 2015 10:16 pm

Thank you for the message. I'll add option to select multiple outputs (_out.pdbqt's) for the next release.

In the meantime, if you start from "Select Molecules" tab, and select Ligands that you want to see in "Analyze Result" tab, PyRx would open previous outputs (_out.pdbqt's), if they exists, instead of running Vina again, when you click on Forward button. There is no explicit limit on the number of Ligands that can be selected.
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