| Structure Copy generates errors [message #1785] |
Mon, 05 December 2022 10:28  |
richards99
Messages: 42
Registered: May 2020
Location: UK
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Member |
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Hi,
If you draw a structure in the right hand filter panel, and then in the right hand filter panel right click on the structure and choose "Copy Structure" (So copying it from the filter panel, not from the sketcher).
If you now create a new substructure filter in the panel and right click on it and choose "Paste Structure or Name", it generates an error which says "Uncaught Exception: 0".
Alternatively if I go to Generate 2D atom Coordinates and paste it in there, it generates the same error.
Additionally, if from the main data SAR table I right click on a structure and choose "Copy Structure as 2D Structure". If I then try and paste this in the same way described above I get the same error. Note if I copy structure as SMILES or MolFile etc, then it works fine.
Also sometimes the error shows "Uncaught Exception: 0", but sometimes it also says "Java Heap Space Error".
I am using the latest DEV version of DataWarrior 5.5.0, and the issue has been present for a while now. I am using a MacBook Intel machine with 16Gb RAM.
Thanks,
Simon.
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| Re: Structure Copy generates errors [message #1786 is a reply to message #1785] |
Sat, 10 December 2022 16:13  |
thomas
Messages: 715
Registered: June 2014
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Senior Member |
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Hi Simon,
many thanks for you precise report. Unfortunately, I cannot reproduce the problem. For me copy/paste with structures works well between structure filters, be it directly in the structure panel or in the open editor. I tried on Mac, Linux, and Windows. I assume that the problem disappeared as a result of various changes I did recently, e.g. regarding substructure search features. I just published a new dev update. If the problem still persists for you after upgrading, please send me a small file that doesn't work. Maybe a particular structure feature causes the issue.
Regarding the "Java Heap Space Error", I suggest to increase your memory setting. On the Mac that would be in the -Xmx4096M setting in the '/Applications/DataWarrior.app/Contents/Info.plist' file almost at the end. You can open the file with any text editor.
Thomas
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