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#27 ChemOffice-like drawing

Boron-13 0.5.4
accepted
nobody
None
5
2018-10-09
2018-10-05
Anton
No

Dear Developers,

I think it's worth to bring more automation to Molsketch:
1. Draw a new CH3-group on click on an atom;
2. Switch elements on type when the mouse pointer is on an atom;
3. Increase bond multiplicity on click;
4. Change number of hydrogens along with charge.
These new features would make Molsketch more handy.

Thank you in advance, you're doing a great job.

Discussion

  • Hendrik Vennekate

    Hi Anton!
    Thanks for the hints!
    Currently, I'm working on doing getting some details straight about bond drawing (e.g. show bonds overlap and improving the drawing of stereochemical bonds), along with some fixes of bugs I seem to have accidentally introduced in the last version, so I would probably move your suggestions to the next release after that (0.5.4 or so).
    Just let me quickly ask a few questions to clarify those items:

    1. So that I understand you correctly: clicking on an atom shall add another CH3 group? (i.e. not change the atom into a CH3 group?) Since that would require also adding a bond: At what position? Solutions that I could imagine would be:
    2. the furthest away from other bonds (which is possibly not that good, as it would add the second bond opposed to the first one and that's probably not useful)
    3. 60 degrees clockwise/anti-clockwise from the last bond drawn (where "last bond drawn/added" might be ambiguous, as we don't track the order of drawing)

    4. I assume you mean when clicking on an atom? That should already be in place: when activating the "draw" action (the one with the bond and the element symbol, that opens the periodic table), you should be able to click on an atom and it should change to the currently selected element. Or can we do this in a more easy-to-use way?

    5. There might have already been something like that and I probably removed it. Should be an easy one, though. Note: you can always change the bond type by either "re-drawing" the bond or selecting it (left click), then right-clicking it and picking a new bond type (yeah, I know, it should just be right-clicking alone... will fix ;) )

    6. Oops, I think charges are generally broken at the moment anyway -- I'll look into it. What kind of correlation would you envision? Add hydrogens as protons (i.e. increasing the charge by +1 per added hydrogen)?

    Thanks again and kind regards,

    Hendrik

     
  • Hendrik Vennekate

    • Group: Boron-12 0.5.3 --> Boron-13 0.5.4
     
  • Hendrik Vennekate

    • status: open --> accepted
     

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