openmolecules.org Forum: Functionality » Drawing Multi-step reaction schemes.

Home » DataWarrior » Functionality » Drawing Multi-step reaction schemes. (Is there an option for drawing, importing, exporting Multi-step reaction schemes?)

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

Drawing Multi-step reaction schemes. [message #146]

Wed, 27 January 2016 10:52

jeetu270
Messages: 22
Registered: October 2015
Location: INDIA

Junior Member

Is there an option for drawing, importing, exporting Multi-step reaction schemes in DataWarrior?

We can only draw and save/share a single step reaction using the Combinatorial library generating option in DW currently.

Thanks
Jitender

Report message to a moderator

Re: Drawing Multi-step reaction schemes. [message #147 is a reply to message #146]

Thu, 28 January 2016 20:57

thomas
Messages: 747
Registered: June 2014

Senior Member

No, but usually that is not necessary, because usually you can write any multi-step reaction as single step reaction with multiple reactants. For the purpose of an enumeration it doesn't matter, whether you use a formal one-step-reaction.

Does this answer your question? Or what is your purpose for multi-step reactions?

Kind regards, Thomas

Report message to a moderator

Re: Drawing Multi-step reaction schemes. [message #148 is a reply to message #147]

Fri, 29 January 2016 03:39

jeetu270
Messages: 22
Registered: October 2015
Location: INDIA

Junior Member

Dear Thomas,
Actually we usually share synthetic schemes (that are generally multi-step reactions) among our colleagues. So I was wondering if we can use DataWarrior's editor for this purpose also. But could not find any option.
It was not for library enumeration use.

Thanks
Jitender

Report message to a moderator

Previous Topic:	Display Full Similarity Matrix
Next Topic:	How to use "Create Combinatorial Library" function?

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Mon Sep 21 17:48:12 CEST 2026

Total time taken to generate the page: 0.00551 seconds