Editing SDFs or SMIs within MarvinView - save problem

HI,


If I open a random SDF or SMI with minimum 100 structures and edit one


structure and save the file under the exactly same name (MarvinView will ask for overwrite), it will contain only 6 structures or any other random number.





If I save it under another name its OK.


Tobias

It works for me in the latest Marvin. Would you write down step by step what I should do to reproduce this issue?

Hi Tamas,


ok, took me a while to reproduce, but ist not an error rather a not yet implemented function in Marvin View.





The problem is that Marvin View has no "Save" (because a viewer is a viewer). However during my daily Marvin use (because its a cool tool ;-) I usually use Marvin View as "Marvin Edit" for SDFs.





Now using Textpad and Word a lot, whenever I change something - and sometimes I have 50 TextPad windows open, very often with the same document open multiple times - TextPad will ask me do you want to loose the changes or save the changes?





In case of Marvin View, if


1) I use a single Molecule, generate 10 conformers, save the 10 conformers, it will increase the SD file to the number of 10 which is correct.





2) Now I use the best conformer generate a hyperfine lowest energy conformer, save it (same name) it will save it as a single molecule correct.





3) Now having the habit of multiple windows, I have to close some of the windows and options (every marvin option has his own instance). Now I close the single conformer window, however the Marvin View window with the 10 conformers is still open. With the same name on top. But this file has now only one single molecule. And here comes the problem, window with 10 molecules open, I lost track which one is the original window, and if I close the 10 molecules window, Marvin just closes is without confirming that the content of the file has changed. You can also do the same vice versa having 10 molecules in a file, but Marvin View is open showing only a single file (now you assume that this file is saved, but its not).





This is what TextPad does, you change something, it will ask you to accept or keep the old version, you close something, it will ask you to save. Those are the two things Marvin View does not do, because its a viewer, but it would be a good option to have, because Marvin View is becoming more like a work horse for viewing and calculations and editing.


Tobias

If I understand you correctly, you have got two requests:


1. Add a confirmation dialog by close in the conformer window.


2. Listen when a Marvin opened file is modified by another application.





I don't think that the first request would be too difficult. I hope we can implement it in the near future.


The second one is more complicated. We plan to solve it in the future but I can not estimate its date.

MarvinView has a save all option now which opens the save dialog where you can set the name of the file. I assume it solves the original problem.

Thank you!
Tobias