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cLogD
https://openmolecules.org/forum/index.phpindex.php?t=rview&goto=955&th=382#msg_955
the option that calculate logD is unclickcable, is there a way to activate that button?
thanks
Sam]]>thurow.sam@gmail.com2020-06-16T13:46:09-00:00Re: cLogD
https://openmolecules.org/forum/index.phpindex.php?t=rview&goto=956&th=382#msg_956
thomas2020-06-16T20:15:51-00:00Re: cLogD
https://openmolecules.org/forum/index.phpindex.php?t=rview&goto=1207&th=382#msg_1207
are there any procedures written up so i can install this functionality into the program?
thanks!]]>bruce2021-02-02T21:15:27-00:00Re: cLogD
https://openmolecules.org/forum/index.phpindex.php?t=rview&goto=1208&th=382#msg_1208
Of course, if you unpack all jars into one root directory and pack everything again into one large capka.jar, it should work. However, I didn't try this with the current pKa-plugin.
The classes required by DataWarrior are:
chemaxon.formats.MolFormatException;
chemaxon.formats.MolImporter;
chemaxon.marvin.calculations.pKaPlugin;
chemaxon.marvin.plugin.PluginException;
I also attach a list of all files that I have added and that seems to be complete...
If your are successful with the current ChemAxon plugin, then please let other users know.
Thomas]]>thomas2021-02-02T21:47:17-00:00Re: cLogD
https://openmolecules.org/forum/index.phpindex.php?t=rview&goto=1210&th=382#msg_1210
bruce2021-02-03T17:29:53-00:00Re: cLogD
https://openmolecules.org/forum/index.phpindex.php?t=rview&goto=1404&th=382#msg_1404
I've followed the steps with the most recent Chemaxon releases and haven't been successful.
Does Datawarrior have a log that describes it's attempts to use the Chemaxon classes and any errors?