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Find similars using Flexophore [message #1676] Sat, 16 July 2022 08:36 Go to previous message
sansun is currently offline  sansun
Messages: 45
Registered: April 2019

I am getting the following error while trying to search similar compounds using the Flexophore descriptor in Datawarrior latest version (updated with the developmental version sometime in Jan).

It indicates a problem with 'atom type'. Several of these messages are popping up which, I am guessing, means a problem with more than one molecule.

How can I identify which molecule is giving the problem?


Also, this error box is quite elongated and doesn't fit the screen even though the actual message in it is limited to above. I had to move it a lot towards my left to see the 'ok' button to close it. However, I found right-clicking on the box also gives the option for closing it.

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