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From: Patrick O'C. <pat...@ho...> - 2016-08-26 12:30:20
|
Hi I've got a local machine install up an working and I'm trying to add multiple chemoinformatic descriptors to my imported sdf set. Unfortunately I'm only able to load one descriptor at a time. Say I load XlogP, and then when I go to Enhanced functions -> algorithms -> Descriptor calculation -> TPSA, then when that loads up the XlogP is gone. I want to calculate a bunch of stuff and then export the results. Is there something simple I'm doing wrong? This is a fantastic program by the way, congrats to the developers [😊] Regards Patrick O'Connor |