Home » DataWarrior » Functionality » molecular complexity descriptor (descriptor missing in the version 4.4.3)
molecular complexity descriptor [message #204] Wed, 02 November 2016 22:37 Go to next message
dataviz is currently offline  dataviz
Messages: 4
Registered: November 2016
Junior Member
i just read a recent review in DDT 2016 (O Mendez-Lucio et al) about molecular complexity computed by different tools including datawarrior. I asked the authors and they used version 4.2.2 to compute this descriptor but it seems that this is not present in version 4.4.3 ? while this parameter seems valuable... maybe of interest to plug it back ?
many thanks
Re: molecular complexity descriptor [message #206 is a reply to message #204] Sat, 05 November 2016 23:49 Go to previous message
thomas is currently offline  thomas
Messages: 155
Registered: June 2014
Senior Member
this was due to an unfortunate bug in the 4.4.3 version. The checkbox disappeared, but will be back in an update in a few days.

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