Cells containing reactions - "save as structure" problem

User 80c35730b2

12-12-2011 10:20:26


1) Import any RD file containing reactions

2) Select a cell containing a reaction diagram

3) Right click to get pop-up menu

3) Select "Save as Structure" menu item

4) File choices include MDL Molfile (*.mol), MDL RD file  (*.rdf), MDL SD file (*.sdf) ...

     BUT NO MDL Rxnfile (*.rxn) choice is offered

5) However if you save as a MDL Molfile (it adds a .mol extension) and then open that file with a text file editor the file is actually an MDL RXN file (saved with wrong file extension)

I guess the Save as Structure save dialog box should have the "MDL Molfile (*.mol)" option switched to "MDL Rxnfile (*.rxn)" when it knows it has a reaction in the cell.

The work-a-round for now is to save the file as a molfile and manually change the file extension

ChemAxon bd13b5bd77

12-12-2011 11:55:22

Hi Tony,

thank your the reports (with extreme cases) you sent progressively onto the forum,

we can use them, they are useful to make our product more reliable, however if you do not mind please send this to the

[email protected] <[email protected]>

because I cannot do anything else with these posts just to close and register them in the issue tracking system, the prioritization will be done soon.