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Re: Export Graph as Image
https://openmolecules.org/forum/index.phpindex.php?t=rview&goto=2142&th=721#msg_2142
sbembenek182024-03-09T21:02:01-00:00Re: Export Graph as Image
https://openmolecules.org/forum/index.phpindex.php?t=rview&goto=2141&th=721#msg_2141
On the frame, top right corner is a group of icons consisting of a plus sign, a wrench, an xy, a symbol to maximize and an other to close the diagram for good. Click on the plus sign, select «copy view image» to select the relevant parameters. For instance preparing a poster, the export with transparent background can be an advantage; even more so the export to .svg vector format for an additional edit e.g., in inkscape,[1] or similar programs.
Regards,
Norwid
[1] https://inkscape.org/]]>nbehrnd2024-03-09T10:21:39-00:00Export Graph as Image
https://openmolecules.org/forum/index.phpindex.php?t=rview&goto=2140&th=721#msg_2140
sbembenek182024-03-09T09:27:24-00:00Re: Defining columntype while appending columns
https://openmolecules.org/forum/index.phpindex.php?t=rview&goto=2135&th=719#msg_2135
]]>helloWorld222024-02-20T08:54:17-00:00Re: Defining columntype while appending columns
https://openmolecules.org/forum/index.phpindex.php?t=rview&goto=2134&th=719#msg_2134
I don't know if this is possible.
Norwid]]>nbehrnd2024-02-20T05:52:20-00:00Re: Defining columntype while appending columns
https://openmolecules.org/forum/index.phpindex.php?t=rview&goto=2133&th=719#msg_2133
The requirement is to add columns containing structures and my plugin retrieves the structures(SMILES or Mol File) from our internal database.
I can now append the column as a text as smiles. But I cant convert them as a structure. Unless I convert them as a structure column, I wont be able to do structure search on the existing data.
I tried : dwInterface.setColumnType and added IPluginHelper.COLUMN_TYPE_STRUCTURE_FROM_SMILES. But this doesnot work while appending column.
Is it possible to append column via SDK as structure and not text? I can also retrieve mol files, instead of SMILES, from DB, if that helps.
Thanks]]>helloWorld222024-02-19T09:58:24-00:00Re: Defining columntype while appending columns
https://openmolecules.org/forum/index.phpindex.php?t=rview&goto=2132&th=719#msg_2132
because a SMILES string is a sequence of printable characters, why wouldn't a new colum of type `text` defined via the GUI fit your needs here?
Regards,
Norwid]]>nbehrnd2024-02-16T05:33:07-00:00Defining columntype while appending columns
https://openmolecules.org/forum/index.phpindex.php?t=rview&goto=2131&th=719#msg_2131
In DW SDK, while I want to define a columntype after initializing new columns, it is throwing exception.
The logic is to check if the new column added has a column header "SMILES", if so, then append the column as COLUMN_TYPE_STRUCTURE_FROM_SMILES.
It works fine when setColumnType is not used. But smiles are shown as String and not structure.
The exception occurs in line
dwInterface.setColumnType(firstNewColumn, IPluginHelper.COLUMN_TYPE_STRUCTURE_FROM_SMILES);
as nullpointer exception.
The exception occurs in com.actelion.research.datawarrior.plugin.PluginHelper line:
mCoordinateColumn[column] = mTargetTableModel.addNewColumns(1);
Since mCoordinateColumn is not set in initializeNewColumns, it is throwing nullpointer exception.
Is it possible to set up a column type while appending column?]]>helloWorld222024-02-15T15:25:54-00:00Re: retreive data from sqlite database?
https://openmolecules.org/forum/index.phpindex.php?t=rview&goto=2124&th=716#msg_2124
SQLite is not supported.
(I'm not familiar with Java, so please correct me if I'm wrong)
]]>wsmts2024-02-01T11:01:31-00:00retreive data from sqlite database?
https://openmolecules.org/forum/index.phpindex.php?t=rview&goto=2121&th=716#msg_2121
I'm wondering if it's possible to query an SQLite database directly from DataWarrior?
e.g. I'd like to search the Probes&Drugs database dump: https://www.probes-drugs.org/download
Can this be done with the current version (e.g. by installing a driver)? Or does this require a change to the program itself?
A really big thanks for making this software available 👍.]]>wsmts2024-01-30T15:56:41-00:00