openmolecules.org

 
Home » DataWarrior » Functionality » Set Bond Properties for Combinatorial Library
Set Bond Properties for Combinatorial Library [message #1316] Mon, 21 June 2021 15:45 Go to previous message
sn is currently offline  sn
Messages: 4
Registered: June 2021
Junior Member
Hi everyone,

I draw virtual reactions which have bond properties(setting the atom bridge), so that I could use a variety of reactants.

/forum/index.php?t=getfile&id=378&private=0

But the bond in reactant transforms to another bond in the product automatically.
ex: "linear chain" to "cyclic chain"

What I would like to do would be to then keep the bond properties between the reactant and product.

Is there any way to do this that would keep the bond properties in the virtual reaction?

Warm Regards,
sn
  • Attachment: a1.png
    (Size: 8.72KB, Downloaded 355 times)
 
Read Message
Read Message
Previous Topic: Doubly Substituted Reactants for Combinatorial Library
Next Topic: Methods to select diverse compounds using non-binary descriptors?
Goto Forum:
  


Current Time: Fri Nov 01 01:12:11 CET 2024

Total time taken to generate the page: 0.04165 seconds