openmolecules.org Forum: Functionality » Set Bond Properties for Combinatorial Library

Home » DataWarrior » Functionality » Set Bond Properties for Combinatorial Library

Show: Today's Messages :: Polls :: Message Navigator

Set Bond Properties for Combinatorial Library [message #1316]

Mon, 21 June 2021 15:45

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

/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 467 times)

Report message to a moderator

[Message index]

		Set Bond Properties for Combinatorial Library By: sn on Mon, 21 June 2021 15:45
		Re: Set Bond Properties for Combinatorial Library By: thomas on Mon, 28 June 2021 21:52

Previous Topic:	Doubly Substituted Reactants for Combinatorial Library
Next Topic:	Methods to select diverse compounds using non-binary descriptors?

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Wed Jul 09 21:03:33 CEST 2025

Total time taken to generate the page: 0.05530 seconds