openmolecules.org Forum: Bug Reports » Name to structure

Home » DataWarrior » Bug Reports » Name to structure - Triple bonds are not parsed

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

Name to structure - Triple bonds are not parsed [message #149]

Thu, 18 February 2016 12:38

MaxPeters
Messages: 1
Registered: February 2016

Junior Member

Entering the SMILES for HCN:
C#N
in the web form results in
CH4.
The same is true for organic nitriles, they either result in terminal groups or parsing errors.

Report message to a moderator

Re: Name to structure - Triple bonds are not parsed [message #151 is a reply to message #149]

Sun, 21 February 2016 13:24

thomas
Messages: 747
Registered: June 2014

Senior Member

Thank you for reporting this. I found and fixed the bug. The # sign was not properly encoded in the URL sent to the server causing the smiles to to be truncated at the #-position.

Report message to a moderator

Previous Topic:	Macros
Next Topic:	New Aug 2016 version is slow

Goto Forum:

-=] Back to Top [=-

[ Syndicate this forum (XML) ] [

] [

]

Current Time: Sun Jun 14 17:45:03 CEST 2026

Total time taken to generate the page: 0.00614 seconds