openmolecules.org

 
Home » DataWarrior » Functionality » Drawing Multi-step reaction schemes. (Is there an option for drawing, importing, exporting Multi-step reaction schemes?)
Drawing Multi-step reaction schemes. [message #146] Wed, 27 January 2016 10:52 Go to next message
jeetu270 is currently offline  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 Go to previous messageGo to next message
thomas is currently offline  thomas
Messages: 715
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 Go to previous message
jeetu270 is currently offline  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:
  

[ Syndicate this forum (XML) ] [ RSS ] [ PDF ]

Current Time: Thu Nov 21 22:35:32 CET 2024

Total time taken to generate the page: 0.03522 seconds
openmolecules.org