Jacek Plewka

Hey, I have a license for PyRx. Is it possiblem to extend it to Dockamon as well or do I have to buy the whole thing? Best regards, Jacek

so sorry to bother you with such an easy one. Best of luck, Jacek

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AutoDock VinaXB

Edit: I diagnosed that the issue is with D (deuterium). Could you please make it possible to delete a selection of items? e.g. delete selected would work on all highlighted cells. Or, delete all would work on filtered items, and not all from the list (also those not visible after filtering).

Edit: I diagnosed that the issue is with D (deuterium)

minimization issue

Dear Sarkis, Up to minimalization and transformation to pdbqt with open babel aplet everything is fine. It is the torsions of docking that causes those issues. Nevertheless, thank you for your assistance. Best regards, Jacek Jacek Plewka, PhD Faculty of Chemistry, Jagiellonian University Gronostajowa 2, 30-387 Krakow, Poland e-mail: jacek.plewka@uj.edu.pl work: 0048-12-686-2435 From: Sarkis Dallakiansarkiss@users.sourceforge.net Sent: Friday, May 10, 2019 2:27 AM To: [pyrx:tickets] 34@tickets.pyrx.p.re.sourceforge.net...